data_LiWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   7.24
_cell_angle_alpha   103.05
_cell_angle_beta   103.05
_cell_angle_gamma   59.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiWSe2
_chemical_formula_sum   'Li1 W1 Se2'
_cell_volume   70.95
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.03  0.0  0.5  1.0
  Se  Se1  1  0.0  0.0  0.81  1.0
  Se  Se2  1  0.07  0.0  0.19  1.0

data_LiWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.43
_cell_length_c   7.24
_cell_angle_alpha   103.05
_cell_angle_beta   90.0
_cell_angle_gamma   119.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiWSe2
_chemical_formula_sum   'Li1 W1 Se2'
_cell_volume   70.95
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.97  0.5  1.0
  Se  Se2  1  0.0  0.93  0.81  1.0
  Se  Se3  1  0.0  1.0  0.19  1.0

Li W Se Se
Li W Se Se 0 2 o o - 0 3 o o o 1 2 o o o 1 3 o o o 