data_[Sc24Bi12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.3061]
_cell_length_b [15.3039]
_cell_length_c [4.6477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sc6Bi3H]
_chemical_formula_sum '[Sc24 Bi12 H4]'
_cell_volume [875.3106]
_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  8  0.1656  0.2444  0.3459  1.0
  Sc  Sc1  8  0.1671  0.4221  0.8464  1.0
  Sc  Sc2  4  0.0000  0.0754  0.3480  1.0
  Sc  Sc3  4  0.0000  0.2560  0.8416  1.0
  Bi  Bi4  8  0.1675  0.0990  0.8488  1.0
  Bi  Bi5  4  0.0000  0.4037  0.3445  1.0
  H  H6  4  0.0000  0.2075  0.3985  1.0
]