# generated using pymatgen
data_LaF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16720035
_cell_length_b   7.16720039
_cell_length_c   7.33175557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999517
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaF3
_chemical_formula_sum   'La6 F18'
_cell_volume   326.16527508
_cell_formula_units_Z   6
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  0.34180189  0.34180189  0.75000000  1.0
  La  La1  1  0.00000000  0.65819811  0.75000000  1.0
  La  La2  1  0.65819811  0.00000000  0.75000000  1.0
  La  La3  1  0.65819811  0.65819811  0.25000000  1.0
  La  La4  1  -0.00000000  0.34180189  0.25000000  1.0
  La  La5  1  0.34180189  -0.00000000  0.25000000  1.0
  F  F6  1  -0.00000000  -0.00000000  0.75000000  1.0
  F  F7  1  -0.00000000  -0.00000000  0.25000000  1.0
  F  F8  1  0.33333300  0.66666700  0.81773157  1.0
  F  F9  1  0.66666700  0.33333300  0.68226843  1.0
  F  F10  1  0.66666700  0.33333300  0.18226843  1.0
  F  F11  1  0.33333300  0.66666700  0.31773157  1.0
  F  F12  1  0.31185487  0.94404266  0.58139909  1.0
  F  F13  1  0.05595734  0.36781221  0.58139909  1.0
  F  F14  1  0.63218779  0.68814513  0.58139909  1.0
  F  F15  1  0.36781221  0.05595734  0.91860091  1.0
  F  F16  1  0.68814513  0.63218779  0.91860091  1.0
  F  F17  1  0.94404266  0.31185487  0.91860091  1.0
  F  F18  1  0.68814513  0.05595734  0.41860091  1.0
  F  F19  1  0.94404266  0.63218779  0.41860091  1.0
  F  F20  1  0.36781221  0.31185487  0.41860091  1.0
  F  F21  1  0.63218779  0.94404266  0.08139909  1.0
  F  F22  1  0.31185487  0.36781221  0.08139909  1.0
  F  F23  1  0.05595734  0.68814513  0.08139909  1.0