data_[Nd2Zn1P3Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  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 [4.1324]
_cell_length_b [4.1324]
_cell_length_c [10.0172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Nd2ZnP3Ir4]
_chemical_formula_sum '[Nd2 Zn1 P3 Ir4]'
_cell_volume [171.0600]
_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  0.7467  1.0
  Zn  Zn1  1  0.5000  0.5000  0.5000  1.0
  P  P2  2  0.0000  0.5000  0.1354  1.0
  P  P3  1  0.0000  0.0000  0.5000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.3651  1.0
  Ir  Ir5  1  0.0000  0.0000  0.0000  1.0
  Ir  Ir6  1  0.5000  0.5000  0.0000  1.0
]