data_[Tc2Pt2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  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 [12.7750]
_cell_length_b [3.4842]
_cell_length_c [6.6799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcPtSe4]
_chemical_formula_sum '[Tc2 Pt2 Se8]'
_cell_volume [256.2055]
_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
[
  Tc  Tc0  2  0.0000  0.5000  0.5000  1
  Pt  Pt1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1250  0.5000  0.3050  1
  Se  Se3  4  0.1270  0.0000  0.8033  1
]