data_La2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.99
_cell_angle_alpha   112.73
_cell_angle_beta   112.73
_cell_angle_gamma   47.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2PW
_chemical_formula_sum   'La2 P1 W1'
_cell_volume   96.91
_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  La0  1  0.71  0.0  0.02  1.0
  La  La1  1  0.06  0.0  0.51  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.88  0.0  0.26  1.0

data_La2PW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.99
_cell_length_c   5.39
_cell_angle_alpha   112.73
_cell_angle_beta   113.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2PW
_chemical_formula_sum   'La2 P1 W1'
_cell_volume   96.91
_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  La0  1  0.0  0.02  0.71  1.0
  La  La1  1  0.0  0.51  0.06  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.26  0.88  1.0

La La P W