# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988

# Chemical Composition:  A2B2C_oC80_64_efg_efg_df-001 B2C2Mg

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B2C_oC80_64_efg_efg_df-001

# Last updated on 2024/08/01
data_B32C32Mg16
_pd_phase_name B32C32Mg16
_cell_length_a  10.9220000000
_cell_length_b  9.4610000000
_cell_length_c  7.4590000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cmce'
_symmetry_Int_Tables_Number  64
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y+1/2,z+1/2
  3  -x,y+1/2,-z+1/2
  4  x,-y,-z
  5  -x,-y,-z
  6  x,y+1/2,-z+1/2
  7  x,-y+1/2,z+1/2
  8  -x,y,z
  9  x+1/2,y+1/2,z
  10  -x+1/2,-y,z+1/2
  11  -x+1/2,y,-z+1/2
  12  x+1/2,-y+1/2,-z
  13  -x+1/2,-y+1/2,-z
  14  x+1/2,y,-z+1/2
  15  x+1/2,-y,z+1/2
  16  -x+1/2,y+1/2,z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Mg7 1.0000000000 0.8465700000 0.0000000000 0.0000000000  Biso 1.0 Mg 8 d
B1 1.0000000000 0.2500000000 0.4054000000 0.2500000000  Biso 1.0 B 8 e
C4 1.0000000000 0.2500000000 0.5729000000 0.2500000000  Biso 1.0 C 8 e
B2 1.0000000000 -0.0000000000 0.0886000000 0.7760000000  Biso 1.0 B 8 f
C5 1.0000000000 -0.0000000000 0.4208000000 0.7314000000  Biso 1.0 C 8 f
Mg8 1.0000000000 -0.0000000000 0.7798100000 0.4887000000  Biso 1.0 Mg 8 f
B3 1.0000000000 0.1278000000 0.8415000000 0.7438000000  Biso 1.0 B 16 g
C6 1.0000000000 0.1245000000 0.6750000000 0.7231000000  Biso 1.0 C 16 g
