data_MnBiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   143.62
_cell_angle_beta   136.69
_cell_angle_gamma   57.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiIr
_chemical_formula_sum   'Mn1 Bi1 Ir1'
_cell_volume   56.22
_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
  Mn  Mn2  1  0.0  0.0  0.83  1.0
  Bi  Bi0  1  0.0  0.0  0.02  1.0
  Ir  Ir1  1  0.0  0.0  0.23  1.0

data_MnBiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.83
_cell_length_c   5.18
_cell_angle_alpha   111.65
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiIr
_chemical_formula_sum   'Mn1 Bi1 Ir1'
_cell_volume   56.22
_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
  Mn  Mn0  1  0.0  0.83  0.83  1.0
  Bi  Bi1  1  0.0  0.02  0.02  1.0
  Ir  Ir2  1  0.0  0.23  0.23  1.0

Mn Bi Ir
Mn Bi Ir 0 1 o o + 1 2 o o o 