data_[Pr3Gd1C2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Gd  1.2000  1.8000  1.0750
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6290]
_cell_length_b [3.6290]
_cell_length_c [12.8652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pr3Gd(CF)2]
_chemical_formula_sum '[Pr3 Gd1 C2 F2]'
_cell_volume [146.7318]
_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  0.0000  0.0000  0.6110  1
  Pr  Pr1  1  0.3333  0.6667  0.1052  1
  Pr  Pr2  1  0.3333  0.6667  0.3907  1
  Gd  Gd3  1  0.0000  0.0000  0.8917  1
  C  C4  1  0.6667  0.3333  0.5014  1
  C  C5  1  0.6667  0.3333  0.9903  1
  F  F6  1  0.0000  0.0000  0.2461  1
  F  F7  1  0.3333  0.6667  0.7637  1
]