data_[Nd2Mn1P4Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1842]
_cell_length_b [4.1842]
_cell_length_c [9.4583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Nd2MnP4Ir3]
_chemical_formula_sum '[Nd2 Mn1 P4 Ir3]'
_cell_volume [165.5906]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.7579  1
  Mn  Mn1  1  0.5000  0.5000  0.5000  1
  P  P2  2  0.0000  0.5000  0.3750  1
  P  P3  1  0.0000  0.0000  0.0000  1
  P  P4  1  0.5000  0.5000  0.0000  1
  Ir  Ir5  2  0.0000  0.5000  0.1159  1
  Ir  Ir6  1  0.0000  0.0000  0.5000  1
]