data_[Nd10Pt2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4619]
_cell_length_b [5.9951]
_cell_length_c [8.4950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5PtSe5]
_chemical_formula_sum '[Nd10 Pt2 Se10]'
_cell_volume [651.7786]
_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  4  0.1544  0.0000  0.8322  1.0
  Nd  Nd1  4  0.1627  0.0000  0.3338  1.0
  Nd  Nd2  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.1719  0.5000  0.8410  1.0
  Se  Se5  4  0.1777  0.5000  0.3307  1.0
  Se  Se6  2  0.0000  0.0000  0.5000  1.0
]