data_MnIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Bi
_chemical_formula_sum   'Mn1 In2 Bi1'
_cell_volume   98.97
_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  0.76  1.0
  In  In1  1  0.0  0.0  0.05  1.0
  In  In2  1  0.26  0.0  0.54  1.0
  Bi  Bi0  1  0.26  0.0  0.81  1.0

data_MnIn2Bi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnIn2Bi
_chemical_formula_sum   'Mn1 In2 Bi1'
_cell_volume   99.06
_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
  Mn  Mn0  1  0.0  0.0  0.76  1.0
  In  In1  1  0.0  0.0  0.05  1.0
  In  In2  1  0.26  0.0  0.54  1.0
  Bi  Bi3  1  0.26  0.0  0.81  1.0

Mn In In Bi
Mn In In Bi 0 3 o o o 0 1 o o + 0 2 o o o 1 3 o o - 2 3 o o o 