data_[V4Co4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6442]
_cell_length_b [2.6249]
_cell_length_c [4.5798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VCoH]
_chemical_formula_sum '[V4 Co4 H4]'
_cell_volume [102.1320]
_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
[
  V  V0  4  0.1152  0.0000  0.3464  1.0
  Co  Co1  4  0.1210  0.5000  0.8649  1.0
  H  H2  4  0.2400  0.0000  0.7535  1.0
]