data_[Pr1Cu2Ag1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [P312]
_cell_length_a [6.7929]
_cell_length_b [6.7929]
_cell_length_c [18.2506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [PrCu2AgCl6]
_chemical_formula_sum '[Pr1 Cu2 Ag1 Cl6]'
_cell_volume [729.3157]
_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
[
  Pr  Pr0  1  0.3333  0.6667  0.5000  1
  Cu  Cu1  2  0.6667  0.3333  0.5752  1
  Ag  Ag2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  6  0.3365  0.0028  0.5891  1
]