data_[Nb8Pt4Se28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [14.5635]
_cell_length_b [3.5538]
_cell_length_c [18.9101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2PtSe7]
_chemical_formula_sum '[Nb8 Pt4 Se28]'
_cell_volume [926.8048]
_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
[
  Nb  Nb0  4  0.1515  0.0000  0.8992  1
  Nb  Nb1  4  0.2305  0.0000  0.5920  1
  Pt  Pt2  4  0.1896  0.5000  0.7089  1
  Se  Se3  4  0.0281  0.5000  0.9199  1
  Se  Se4  4  0.0701  0.5000  0.7943  1
  Se  Se5  4  0.0789  0.0000  0.6291  1
  Se  Se6  4  0.1430  0.5000  0.4876  1
  Se  Se7  4  0.1527  0.0000  0.3279  1
  Se  Se8  4  0.2037  0.0000  0.0538  1
  Se  Se9  4  0.2365  0.5000  0.1948  1
]