data_MnCrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   125.48
_cell_angle_beta   118.68
_cell_angle_gamma   86.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrBi2
_chemical_formula_sum   'Mn1 Cr1 Bi2'
_cell_volume   81.97
_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
  Mn  Mn3  1  0.0  0.0  0.6  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.26  0.0  0.82  1.0
  Bi  Bi1  1  0.0  0.52  0.77  1.0

data_MnCrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   61.32
_cell_angle_beta   62.74
_cell_angle_gamma   62.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrBi2
_chemical_formula_sum   'Mn1 Cr1 Bi2'
_cell_volume   81.97
_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
  Mn  Mn0  1  0.6  0.0  0.4  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.56  0.26  0.18  1.0
  Bi  Bi3  1  0.77  0.0  0.75  1.0

Mn Cr Bi Bi