data_[Zr1Cu2Ag1Cl8]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3911]
_cell_length_b [6.9402]
_cell_length_c [8.1345]
_cell_angle_alpha [68.9317]
_cell_angle_beta [86.3881]
_cell_angle_gamma [75.3983]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrCu2AgCl8]
_chemical_formula_sum '[Zr1 Cu2 Ag1 Cl8]'
_cell_volume [325.6648]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  2  0.4635  0.3566  0.6811  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.1025  0.1870  0.1807  1.0
  Cl  Cl4  2  0.1274  0.2515  0.7276  1.0
  Cl  Cl5  2  0.3694  0.7507  0.0488  1.0
  Cl  Cl6  2  0.3950  0.7216  0.5559  1.0
]