data_Cr2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   137.28
_cell_angle_beta   137.28
_cell_angle_gamma   62.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiAs
_chemical_formula_sum   'Cr2 Bi1 As1'
_cell_volume   76.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.01  0.0  0.37  1.0
  Bi  Bi1  1  0.0  0.01  0.37  1.0
  As  As0  1  0.0  0.0  0.74  1.0

data_Cr2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   5.53
_cell_angle_alpha   111.36
_cell_angle_beta   111.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiAs
_chemical_formula_sum   'Cr2 Bi1 As1'
_cell_volume   76.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.37  0.36  0.36  1.0
  Bi  Bi2  1  0.36  0.37  0.36  1.0
  As  As3  1  0.74  0.74  0.74  1.0

Cr Cr Bi As