data_[Zr4Cu2Cl4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9092]
_cell_length_b [6.3176]
_cell_length_c [6.2186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Cu(ClO)2]
_chemical_formula_sum '[Zr4 Cu2 Cl4 O4]'
_cell_volume [301.5445]
_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
[
  Zr  Zr0  4  0.1406  0.5000  0.8340  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  4  0.1766  0.5000  0.4296  1
  O  O3  4  0.2500  0.2500  0.0000  1
]