data_[Pr12Zn2P4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6674]
_cell_length_b [4.1380]
_cell_length_c [8.6576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6ZnP2Cl3]
_chemical_formula_sum '[Pr12 Zn2 P4 Cl6]'
_cell_volume [646.8654]
_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
[
  Pr  Pr0  4  0.0064  0.0000  0.2455  1.0
  Pr  Pr1  4  0.1629  0.5000  0.1015  1.0
  Pr  Pr2  4  0.1744  0.5000  0.5608  1.0
  Zn  Zn3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1675  0.0000  0.3319  1.0
  Cl  Cl5  4  0.1673  0.0000  0.8299  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]