data_[Sc10Sn10H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7167]
_cell_length_b [4.0790]
_cell_length_c [10.8405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc5Sn5H2]
_chemical_formula_sum '[Sc10 Sn10 H4]'
_cell_volume [473.8472]
_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  4  0.0768  0.0000  0.3117  1.0
  Sc  Sc1  4  0.1343  0.5000  0.8081  1.0
  Sc  Sc2  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  4  0.1657  0.5000  0.1090  1.0
  Sn  Sn4  4  0.2143  0.0000  0.6098  1.0
  Sn  Sn5  2  0.0000  0.5000  0.5000  1.0
  H  H6  4  0.0611  0.0000  0.8214  1.0
]