data_ZnRuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   4.86
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   103.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRuSe2
_chemical_formula_sum   'Zn1 Ru1 Se2'
_cell_volume   75.89
_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
  Zn  Zn3  1  0.52  0.0  0.02  1.0
  Ru  Ru0  1  0.71  0.43  0.96  1.0
  Se  Se1  1  0.4  0.0  0.44  1.0
  Se  Se2  1  0.73  0.43  0.55  1.0

data_ZnRuSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.09
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRuSe2
_chemical_formula_sum   'Zn1 Ru1 Se2'
_cell_volume   75.89
_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
  Zn  Zn0  1  0.48  0.98  0.0  1.0
  Ru  Ru1  1  0.29  0.04  0.57  1.0
  Se  Se2  1  0.27  0.45  0.57  1.0
  Se  Se3  1  0.6  0.56  0.0  1.0

Zn Ru Se Se