data_ZnAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu2Se
_chemical_formula_sum   'Zn1 Au2 Se1'
_cell_volume   75.1
_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  0.0  0.0  0.15  1.0
  Au  Au0  1  0.81  0.0  0.23  1.0
  Au  Au1  1  0.0  0.0  0.01  1.0
  Se  Se2  1  0.81  0.0  0.15  1.0

data_ZnAu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu2Se
_chemical_formula_sum   'Zn1 Au2 Se1'
_cell_volume   75.1
_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  0.0  0.0  0.15  1.0
  Au  Au1  1  0.0  0.0  0.01  1.0
  Au  Au2  1  0.81  0.0  0.23  1.0
  Se  Se3  1  0.81  0.0  0.15  1.0

Zn Au Au Se
Zn Au Au Se 0 3 - o o 0 2 o o o 1 3 o o o 2 3 - o o 