data_[Sc4H8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6823]
_cell_length_b [5.6748]
_cell_length_c [6.4823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ScH2Pt]
_chemical_formula_sum '[Sc4 H8 Pt4]'
_cell_volume [173.9765]
_cell_formula_units_Z [4]
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  4  0.2261  0.1624  0.9335  1
  H  H1  4  0.0093  0.1399  0.1095  1
  H  H2  4  0.4782  0.0858  0.7600  1
  Pt  Pt3  4  0.2499  0.6462  0.0861  1
]