data_[Sc4Si4Ni8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5838]
_cell_length_b [9.7543]
_cell_length_c [6.6123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ScSiNi2H]
_chemical_formula_sum '[Sc4 Si4 Ni8 H4]'
_cell_volume [231.1450]
_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  4  0.0000  0.4433  0.7500  1.0
  Si  Si1  4  0.0000  0.2740  0.2500  1.0
  Ni  Ni2  8  0.0000  0.1615  0.5566  1.0
  H  H3  4  0.0000  0.0000  0.0000  1.0
]