data_[Sc2P2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0377]
_cell_length_b [3.8245]
_cell_length_c [4.9276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScPPt2]
_chemical_formula_sum '[Sc2 P2 Pt4]'
_cell_volume [134.8926]
_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
[
  Sc  Sc0  2  0.0334  0.5000  0.5147  1
  P  P1  2  0.2725  0.0000  0.9164  1
  Pt  Pt2  2  0.2442  0.5000  0.2091  1
  Pt  Pt3  2  0.4499  0.5000  0.8598  1
]