data_[Cu2W4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0149]
_cell_length_b [2.8099]
_cell_length_c [4.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuW2Cl]
_chemical_formula_sum '[Cu2 W4 Cl2]'
_cell_volume [123.0819]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  W  W1  4  0.2466  0.5000  0.7604  1
  Cl  Cl2  2  0.0000  0.0000  0.5000  1
]