data_CrBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.99
_cell_angle_alpha   95.74
_cell_angle_beta   95.74
_cell_angle_gamma   42.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBi2Cl
_chemical_formula_sum   'Cr1 Bi2 Cl1'
_cell_volume   111.13
_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  Cr3  1  0.16  0.0  0.47  1.0
  Bi  Bi0  1  0.77  0.0  0.13  1.0
  Bi  Bi1  1  0.54  0.0  0.81  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_CrBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.86
_cell_length_c   6.99
_cell_angle_alpha   95.74
_cell_angle_beta   90.0
_cell_angle_gamma   111.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBi2Cl
_chemical_formula_sum   'Cr1 Bi2 Cl1'
_cell_volume   111.13
_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  0.84  0.53  1.0
  Bi  Bi1  1  0.0  0.23  0.87  1.0
  Bi  Bi2  1  0.0  0.46  0.19  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cr Bi Bi Cl
Cr Bi Bi Cl 0 3 o o o 0 1 - o o 0 0 + - o 0 2 o o o 1 3 + o o 1 2 o o - 2 3 + o + 