data_Mn2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   147.61
_cell_angle_beta   131.11
_cell_angle_gamma   59.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PIr
_chemical_formula_sum   'Mn2 P1 Ir1'
_cell_volume   51.33
_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  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.41  0.0  0.5  1.0
  P  P3  1  0.0  0.0  0.36  1.0
  Ir  Ir0  1  0.0  0.09  0.88  1.0

data_Mn2PIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.17
_cell_length_c   5.04
_cell_angle_alpha   114.45
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PIr
_chemical_formula_sum   'Mn2 P1 Ir1'
_cell_volume   51.33
_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  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.5  0.1  1.0
  P  P2  1  0.0  0.36  0.36  1.0
  Ir  Ir3  1  0.91  0.79  0.79  1.0

Mn Mn P Ir