data_MgCr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2Bi
_chemical_formula_sum   'Mg1 Cr2 Bi1'
_cell_volume   81.22
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.61  0.35  0.91  1.0
  Cr  Cr2  1  0.61  0.65  0.91  1.0
  Bi  Bi0  1  0.22  0.0  0.0  1.0

data_MgCr2Bi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.82
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgCr2Bi
_chemical_formula_sum   'Mg1 Cr2 Bi1'
_cell_volume   81.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.91  0.35  0.61  1.0
  Bi  Bi2  1  0.0  0.0  0.22  1.0

Mg Cr Cr Bi