data_[Pr4Zn4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6246]
_cell_length_b [10.8960]
_cell_length_c [4.4896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrZnF4]
_chemical_formula_sum '[Pr4 Zn4 F16]'
_cell_volume [365.7650]
_cell_formula_units_Z [4]
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  0.0000  0.3148  0.0000  1.0
  Zn  Zn1  4  0.1301  0.0000  0.4001  1.0
  F  F2  8  0.2045  0.1386  0.1113  1.0
  F  F3  4  0.0000  0.2591  0.5000  1.0
  F  F4  4  0.1143  0.5000  0.2832  1.0
]