data_[Sr1Zr1Cu2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3532]
_cell_length_b [6.8825]
_cell_length_c [8.3540]
_cell_angle_alpha [69.2581]
_cell_angle_beta [89.5119]
_cell_angle_gamma [81.3028]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrZr(CuCl4)2]
_chemical_formula_sum '[Sr1 Zr1 Cu2 Cl8]'
_cell_volume [337.2781]
_cell_formula_units_Z [1]
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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1
  Zr  Zr1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.4985  0.6509  0.3256  1
  Cl  Cl3  2  0.1286  0.2133  0.1539  1
  Cl  Cl4  2  0.1387  0.2260  0.7199  1
  Cl  Cl5  2  0.3466  0.7583  0.0627  1
  Cl  Cl6  2  0.4061  0.7237  0.5653  1
]