data_[Sr1P2Pt1Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.1896]
_cell_length_b [6.1896]
_cell_length_c [9.0734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [SrP2PtSe8]
_chemical_formula_sum '[Sr1 P2 Pt1 Se8]'
_cell_volume [301.0419]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.0000  1
  P  P1  2  0.3333  0.6667  0.7379  1
  Pt  Pt2  1  0.0000  0.0000  0.5000  1
  Se  Se3  6  0.0230  0.6964  0.3209  1
  Se  Se4  2  0.3333  0.6667  0.9777  1
]