data_BaCr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.36
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   96.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Bi
_chemical_formula_sum   'Ba1 Cr2 Bi1'
_cell_volume   109.01
_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
  Ba  Ba0  1  0.45  0.0  0.66  1.0
  Cr  Cr2  1  0.39  0.0  0.49  1.0
  Cr  Cr3  1  0.28  0.18  0.93  1.0
  Bi  Bi1  1  0.76  0.18  0.89  1.0

data_BaCr2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.36
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   96.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Bi
_chemical_formula_sum   'Ba1 Cr2 Bi1'
_cell_volume   109.01
_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
  Ba  Ba0  1  0.45  0.0  0.66  1.0
  Cr  Cr1  1  0.28  0.18  0.93  1.0
  Cr  Cr2  1  0.39  0.0  0.49  1.0
  Bi  Bi3  1  0.76  0.18  0.89  1.0

Ba Cr Cr Bi
Ba Cr Cr Bi 0 1 o o o 0 3 o o o 2 3 - o o 2 3 o o o 