data_[Co1Pt1Se2]
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 [3.7598]
_cell_length_b [3.4185]
_cell_length_c [6.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoPtSe2]
_chemical_formula_sum '[Co1 Pt1 Se2]'
_cell_volume [84.2846]
_cell_formula_units_Z [1]
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  0.2729  0.0000  0.4338  1
  Pt  Pt1  1  0.7449  0.5000  0.3156  1
  Se  Se2  1  0.0093  0.0000  0.1061  1
  Se  Se3  1  0.4728  0.5000  0.6445  1
]