data_Mn2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BiIr
_chemical_formula_sum   'Mn2 Bi1 Ir1'
_cell_volume   63.29
_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  0.13  0.0  0.21  1.0
  Mn  Mn3  1  0.0  0.0  0.25  1.0
  Bi  Bi0  1  0.13  0.0  0.31  1.0
  Ir  Ir1  1  0.0  0.0  0.49  1.0

data_Mn2BiIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2BiIr
_chemical_formula_sum   'Mn2 Bi1 Ir1'
_cell_volume   63.3
_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  0.25  1.0
  Mn  Mn1  1  0.13  0.0  0.21  1.0
  Bi  Bi2  1  0.13  0.0  0.31  1.0
  Ir  Ir3  1  0.0  0.0  0.49  1.0

Mn Mn Bi Ir