data_[Sb1P1Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4229]
_cell_length_b [3.7096]
_cell_length_c [5.2482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SbPPt2]
_chemical_formula_sum '[Sb1 P1 Pt2]'
_cell_volume [84.9151]
_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
[
  Sb  Sb0  1  0.5976  0.0000  0.4872  1
  P  P1  1  0.1930  0.5000  0.9765  1
  Pt  Pt2  1  0.0428  0.0000  0.1866  1
  Pt  Pt3  1  0.6666  0.5000  0.8498  1
]