data_LaWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   133.75
_cell_angle_beta   115.07
_cell_angle_gamma   83.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaWSe2
_chemical_formula_sum   'La1 W1 Se2'
_cell_volume   89.0
_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  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.89  1.0
  Se  Se1  1  0.0  0.8  0.55  1.0
  Se  Se2  1  0.05  0.0  0.34  1.0

data_LaWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   64.93
_cell_angle_beta   66.87
_cell_angle_gamma   66.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaWSe2
_chemical_formula_sum   'La1 W1 Se2'
_cell_volume   89.0
_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  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.89  1.0
  Se  Se2  1  0.0  0.95  0.34  1.0
  Se  Se3  1  0.8  -0.0  0.75  1.0

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