data_[Cu4H4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5560]
_cell_length_b [2.7437]
_cell_length_c [4.8154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuHW]
_chemical_formula_sum '[Cu4 H4 W4]'
_cell_volume [124.6162]
_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
[
  Cu  Cu0  4  0.1149  0.5000  0.8808  1
  H  H1  4  0.2377  0.5000  0.2639  1
  W  W2  4  0.1134  0.0000  0.3802  1
]