data_[Nd2In2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.6550]
_cell_length_b [4.3710]
_cell_length_c [7.1797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdInPt2]
_chemical_formula_sum '[Nd2 In2 Pt4]'
_cell_volume [177.4660]
_cell_formula_units_Z [2]
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  0.2500  0.0000  0.2600  1.0
  In  In1  2  0.2500  0.5000  0.6265  1.0
  Pt  Pt2  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt3  2  0.2500  0.0000  0.8473  1.0
]