data_BaMn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   131.92
_cell_angle_beta   131.92
_cell_angle_gamma   70.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Bi
_chemical_formula_sum   'Ba1 Mn2 Bi1'
_cell_volume   110.04
_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  0.0  0.0  0.8  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.39  0.0  0.4  1.0
  Bi  Bi1  1  0.0  0.39  0.4  1.0

data_BaMn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.88
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Bi
_chemical_formula_sum   'Ba1 Mn2 Bi1'
_cell_volume   110.04
_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  0.2  0.0  0.2  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.6  0.0  0.99  1.0
  Bi  Bi3  1  0.99  0.39  0.99  1.0

Ba Mn Mn Bi