# 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:  C2LaRh

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2BC_tP16_76_2a_a_a-001

# Last updated on 2024/08/01

data_C2LaRh
_pd_phase_name C2LaRh
_cell_length_a  3.9810644174
_cell_length_b  3.9810644174
_cell_length_c  15.3512483979
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4_{1}'
_symmetry_Int_Tables_Number  76
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z+1/2
  3  -y,x,z+1/4
  4  y,-x,z+3/4
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
C1  1.0000000000 0.1430000000 0.1730000000 0.1347000000  Biso 1.0 C  4 a
C2  1.0000000000 0.3530000000 0.1410000000 0.2027000000  Biso 1.0 C  4 a
La3 1.0000000000 0.3461000000 0.3475000000 0.5937000000  Biso 1.0 La 4 a
Rh4 1.0000000000 0.1519000000 0.1578000000 0.0000000000  Biso 1.0 Rh 4 a
