data_Mn2NbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.07
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbIr
_chemical_formula_sum   'Mn2 Nb1 Ir1'
_cell_volume   58.35
_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  Mn1  1  0.99  0.0  0.05  1.0
  Mn  Mn2  1  0.13  0.03  0.21  1.0
  Nb  Nb3  1  0.24  0.0  0.59  1.0
  Ir  Ir0  1  0.64  0.03  0.95  1.0

data_Mn2NbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.07
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbIr
_chemical_formula_sum   'Mn2 Nb1 Ir1'
_cell_volume   58.35
_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  0.13  0.03  0.21  1.0
  Mn  Mn1  1  0.99  0.0  0.05  1.0
  Nb  Nb2  1  0.24  0.0  0.59  1.0
  Ir  Ir3  1  0.64  0.03  0.95  1.0

Mn Mn Nb Ir