data_LaF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   116.4
_cell_angle_beta   116.4
_cell_angle_gamma   96.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaF3
_chemical_formula_sum   'La1 F3'
_cell_volume   50.31
_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
  La  La3  1  0.0  0.0  0.72  1.0
  F  F0  1  0.15  0.0  0.36  1.0
  F  F1  1  0.0  0.15  0.36  1.0
  F  F2  1  0.0  0.0  0.0  1.0

data_LaF3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   6.08
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   131.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaF3
_chemical_formula_sum   'La2 F6'
_cell_volume   100.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.28  1.0
  F  F1  4  0.42  0.42  0.64  1.0
  F  F2  2  0.0  0.0  0.0  1.0

La F F F