data_ReW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReW2Se
_chemical_formula_sum   'Re1 W2 Se1'
_cell_volume   65.77
_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  0.54  1.0
  W  W2  1  0.55  0.0  0.37  1.0
  W  W3  1  0.55  0.0  0.71  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_ReW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReW2Se
_chemical_formula_sum   'Re1 W2 Se1'
_cell_volume   65.77
_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  0.54  1.0
  W  W1  1  0.55  0.0  0.37  1.0
  W  W2  1  0.55  0.0  0.71  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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