data_[Co12Si4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5878]
_cell_length_b [5.0624]
_cell_length_c [4.2784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Co3SiH]
_chemical_formula_sum '[Co12 Si4 H4]'
_cell_volume [180.2529]
_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
[
  Co  Co0  4  0.1529  0.2483  0.2155  1.0
  Co  Co1  4  0.4371  0.2506  0.6387  1.0
  Co  Co2  2  0.1928  0.5000  0.7297  1.0
  Co  Co3  2  0.3916  0.0000  0.1347  1.0
  Si  Si4  2  0.1812  0.0000  0.7002  1.0
  Si  Si5  2  0.4183  0.5000  0.1353  1.0
  H  H6  2  0.0434  0.5000  0.9380  1.0
  H  H7  2  0.2893  0.5000  0.4567  1.0
]