data_ReAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.38
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   92.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Se
_chemical_formula_sum   'Re1 As2 Se1'
_cell_volume   80.77
_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  Re2  1  0.38  0.19  0.76  1.0
  As  As0  1  0.42  0.19  0.43  1.0
  As  As1  1  0.61  0.0  0.05  1.0
  Se  Se3  1  0.33  0.0  0.12  1.0

data_ReAs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.38
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   92.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Se
_chemical_formula_sum   'Re1 As2 Se1'
_cell_volume   80.77
_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  0.38  0.19  0.76  1.0
  As  As1  1  0.42  0.19  0.43  1.0
  As  As2  1  0.61  0.0  0.05  1.0
  Se  Se3  1  0.33  0.0  0.12  1.0

Re As As Se
Re As As Se 0 3 o o + 0 0 + o o 0 2 o o + 0 1 o o o 1 3 o o o 1 1 + o o 1 2 o o o 2 3 o o o 