data_[Sc2Ni10H14]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.6600]
_cell_length_b [7.4879]
_cell_length_c [4.6978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScNi5H7]
_chemical_formula_sum '[Sc2 Ni10 H14]'
_cell_volume [184.4029]
_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  2  0.0612  0.0000  0.8496  1
  Ni  Ni1  4  0.2757  0.1773  0.5679  1
  Ni  Ni2  4  0.2885  0.3284  0.0858  1
  Ni  Ni3  2  0.0648  0.5000  0.4683  1
  H  H4  4  0.0023  0.2692  0.4963  1
  H  H5  4  0.4914  0.2443  0.9980  1
  H  H6  2  0.0491  0.0000  0.3310  1
  H  H7  2  0.2263  0.5000  0.3081  1
  H  H8  2  0.4829  0.0000  0.7471  1
]