data_[Nd12Ni4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7444]
_cell_length_b [4.0046]
_cell_length_c [8.2494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3NiPt]
_chemical_formula_sum '[Nd12 Ni4 Pt4]'
_cell_volume [518.5333]
_cell_formula_units_Z [4]
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  4  0.0530  0.0000  0.3169  1.0
  Nd  Nd1  4  0.1031  0.5000  0.9470  1.0
  Nd  Nd2  4  0.2319  0.0000  0.6899  1.0
  Ni  Ni3  4  0.2162  0.0000  0.0599  1.0
  Pt  Pt4  4  0.0956  0.5000  0.5755  1.0
]