data_[Sc4Ni12Sn2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  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 [8.8962]
_cell_length_b [5.1213]
_cell_length_c [6.7020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Ni6SnH]
_chemical_formula_sum '[Sc4 Ni12 Sn2 H2]'
_cell_volume [273.0407]
_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  0.2295  0.0000  0.1985  1
  Ni  Ni1  8  0.0249  0.2526  0.3358  1
  Ni  Ni2  4  0.2244  0.0000  0.6534  1
  Sn  Sn3  2  0.0000  0.5000  0.0000  1
  H  H4  2  0.0000  0.0000  0.5000  1
]