data_Sn2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   4.21
_cell_angle_alpha   106.99
_cell_angle_beta   106.99
_cell_angle_gamma   37.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2AuSe
_chemical_formula_sum   'Sn2 Au1 Se1'
_cell_volume   100.66
_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
  Sn  Sn2  1  0.04  0.0  0.05  1.0
  Sn  Sn3  1  1.0  0.0  0.86  1.0
  Au  Au0  1  0.4  0.0  0.03  1.0
  Se  Se1  1  0.85  0.0  0.07  1.0

data_Sn2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.21
_cell_length_c   6.42
_cell_angle_alpha   106.99
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2AuSe
_chemical_formula_sum   'Sn2 Au1 Se1'
_cell_volume   100.66
_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
  Sn  Sn0  1  0.0  0.05  0.04  1.0
  Sn  Sn1  1  0.0  0.86  1.0  1.0
  Au  Au2  1  0.0  0.03  0.4  1.0
  Se  Se3  1  0.0  0.07  0.85  1.0

Sn Sn Au Se