data_MnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBi
_chemical_formula_sum   'Mn2 Bi2'
_cell_volume   89.27
_cell_formula_units_Z   2
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  Mn2  1  0.27  0.22  0.66  1.0
  Mn  Mn3  1  0.27  0.78  0.39  1.0
  Bi  Bi0  1  0.27  0.22  0.74  1.0
  Bi  Bi1  1  0.27  0.78  0.32  1.0

data_MnBi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.04
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnBi
_chemical_formula_sum   'Mn2 Bi2'
_cell_volume   89.27
_cell_formula_units_Z   2
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  2  0.0  0.22  0.64  1.0
  Bi  Bi1  2  0.0  0.22  0.71  1.0

Mn Mn Bi Bi