data_[Co2Pt2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2047]
_cell_length_b [18.0843]
_cell_length_c [7.0283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoPtSe3]
_chemical_formula_sum '[Co2 Pt2 Se6]'
_cell_volume [779.0204]
_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
[
  Co  Co0  1  0.0045  0.0000  0.5092  1
  Co  Co1  1  0.1339  0.0000  0.9213  1
  Pt  Pt2  1  0.5055  0.0000  0.5906  1
  Pt  Pt3  1  0.5304  0.0000  0.1534  1
  Se  Se4  2  0.2292  0.0853  0.7079  1
  Se  Se5  2  0.7229  0.0844  0.4085  1
  Se  Se6  1  0.1648  0.0000  0.2398  1
  Se  Se7  1  0.7566  0.0000  0.9024  1
]