data_[Sc4Co4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6125]
_cell_length_b [4.5717]
_cell_length_c [9.2510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ScCoH3]
_chemical_formula_sum '[Sc4 Co4 H12]'
_cell_volume [170.6828]
_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  0.2701  0.2482  0.8650  1.0
  Co  Co1  4  0.0735  0.7499  0.4613  1.0
  H  H2  4  0.1647  0.5358  0.1301  1.0
  H  H3  4  0.2614  0.0348  0.0802  1.0
  H  H4  4  0.2720  0.7377  0.8651  1.0
]