data_[Cs4Ca2Pr2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.3965]
_cell_length_b [7.0564]
_cell_length_c [9.3641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs2CaPrF6]
_chemical_formula_sum '[Cs4 Ca2 Pr2 F12]'
_cell_volume [422.6613]
_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
[
  Cs  Cs0  4  0.0000  0.0000  0.2561  1
  Ca  Ca1  2  0.0000  0.5000  0.0000  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  F  F3  8  0.2325  0.2185  0.5000  1
  F  F4  4  0.0000  0.5000  0.2480  1
]