data_[Co4Mo4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9961]
_cell_length_b [2.6956]
_cell_length_c [4.7421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoMoH]
_chemical_formula_sum '[Co4 Mo4 H4]'
_cell_volume [113.4742]
_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  0.1192  0.5000  0.8729  1.0
  Mo  Mo1  4  0.1146  0.0000  0.3522  1.0
  H  H2  4  0.2357  0.0000  0.7764  1.0
]