data_La2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   123.32
_cell_angle_beta   121.76
_cell_angle_gamma   85.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2WSe
_chemical_formula_sum   'La2 W1 Se1'
_cell_volume   101.35
_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  0.52  0.0  0.96  1.0
  La  La1  1  0.0  0.58  0.94  1.0
  W  W3  1  0.0  0.0  0.89  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_La2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.17
_cell_length_c   5.31
_cell_angle_alpha   119.12
_cell_angle_beta   118.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2WSe
_chemical_formula_sum   'La2 W1 Se1'
_cell_volume   101.35
_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  0.06  0.65  0.65  1.0
  La  La1  1  0.56  0.04  0.56  1.0
  W  W2  1  0.11  0.11  0.11  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

La La W Se
La La W Se 0 3 o o + 0 3 + o + 0 2 o o o 0 2 + o o 1 3 o + + 1 2 o + o 2 3 o o + 