data_ReWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReWSe2
_chemical_formula_sum   'Re1 W1 Se2'
_cell_volume   68.02
_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
  Re  Re0  1  0.0  0.0  0.18  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.51  0.0  0.27  1.0
  Se  Se2  1  0.51  0.0  0.1  1.0

data_ReWSe2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.09
_cell_length_b   5.26
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   ReWSe2
_chemical_formula_sum   'Re2 W2 Se4'
_cell_volume   136.09
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Re  Re0  2  0.0  0.0  0.82  1.0
  W  W1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.0  0.5  0.73  1.0
  Se  Se3  2  0.0  0.5  0.9  1.0

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