# 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:  Co3Lu2Si5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B2C5_mC40_15_ef_f_3ef-001

# Last updated on 2024/08/01

data_Co12Lu8Si20
_pd_phase_name Co12Lu8Si20
_cell_length_a  11.0174847858
_cell_length_b  11.3580000000
_cell_length_c  9.3696670967
_cell_angle_alpha  90.0000000000
_cell_angle_beta  150.4859616325
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/c'
_symmetry_Int_Tables_Number  15
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z+1/2
  3  -x,-y,-z
  4  x,-y,z+1/2
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z+1/2
  7  -x+1/2,-y+1/2,-z
  8  x+1/2,-y+1/2,z+1/2
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
Co1 1.0000000000 0.0000000000 0.7531000000 0.2500000000  Biso 1.0 Co 4 e
Si4 1.0000000000 -0.0000000000 0.9634000000 0.2500000000  Biso 1.0 Si 4 e
Si5 1.0000000000 -0.0000000000 0.2627000000 0.2500000000  Biso 1.0 Si 4 e
Si6 1.0000000000 0.0000000000 0.5237000000 0.2500000000  Biso 1.0 Si 4 e
Co2 1.0000000000 0.2772000000 0.6092000000 0.9292000000  Biso 1.0 Co 8 f
Lu3 1.0000000000 0.7475900000 0.8874800000 0.7302800000  Biso 1.0 Lu 8 f
Si7 1.0000000000 0.2477000000 0.6520000000 0.6654000000  Biso 1.0 Si 8 f
