data_Mn2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.24
_cell_angle_alpha   103.58
_cell_angle_beta   103.58
_cell_angle_gamma   39.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BiIr
_chemical_formula_sum   'Mn2 Bi1 Ir1'
_cell_volume   68.27
_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  0.15  0.0  0.33  1.0
  Mn  Mn3  1  0.23  0.0  0.75  1.0
  Bi  Bi0  1  0.69  0.0  0.54  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0

data_Mn2BiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.61
_cell_length_c   5.24
_cell_angle_alpha   103.58
_cell_angle_beta   90.0
_cell_angle_gamma   109.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BiIr
_chemical_formula_sum   'Mn2 Bi1 Ir1'
_cell_volume   68.27
_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  0.77  0.25  1.0
  Mn  Mn1  1  0.0  0.85  0.67  1.0
  Bi  Bi2  1  0.0  0.31  0.46  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

Mn Mn Bi Ir