data_[Pa4P2Pt1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  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 [P2/m]
_cell_length_a [7.0279]
_cell_length_b [3.8710]
_cell_length_c [7.1372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pa4P2PtSe]
_chemical_formula_sum '[Pa4 P2 Pt1 Se1]'
_cell_volume [184.2733]
_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
[
  Pa  Pa0  2  0.2558  0.0000  0.7421  1
  Pa  Pa1  2  0.2578  0.5000  0.2673  1
  P  P2  1  0.0000  0.5000  0.5000  1
  P  P3  1  0.5000  0.0000  0.5000  1
  Pt  Pt4  1  0.5000  0.5000  0.0000  1
  Se  Se5  1  0.0000  0.0000  0.0000  1
]