data_[La2P2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2924]
_cell_length_b [4.2962]
_cell_length_c [7.4134]
_cell_angle_alpha [75.9926]
_cell_angle_beta [74.6266]
_cell_angle_gamma [89.2307]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaPF]
_chemical_formula_sum '[La2 P2 F2]'
_cell_volume [127.7115]
_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
[
  La  La0  1  0.1049  0.7645  0.4436  1.0
  La  La1  1  0.8371  0.0415  0.9445  1.0
  P  P2  1  0.2416  0.4473  0.0975  1.0
  P  P3  1  0.4324  0.6519  0.7862  1.0
  F  F4  1  0.0129  0.2143  0.5736  1.0
  F  F5  1  0.6604  0.8841  0.3150  1.0
]