data_[Sc3H36Pt21]
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 [R-3]
_cell_length_a [11.2619]
_cell_length_b [11.2619]
_cell_length_c [5.6820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [ScH12Pt7]
_chemical_formula_sum '[Sc3 H36 Pt21]'
_cell_volume [624.0981]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  H  H1  18  0.0197  0.5349  0.8328  1
  H  H2  18  0.0310  0.1452  0.6745  1
  Pt  Pt3  18  0.0290  0.2479  0.9011  1
  Pt  Pt4  3  0.0000  0.0000  0.5000  1
]