data_Bi2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   5.94
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2AuSe
_chemical_formula_sum   'Bi2 Au1 Se1'
_cell_volume   106.13
_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
  Bi  Bi1  1  0.3  0.0  0.21  1.0
  Bi  Bi2  1  0.37  0.97  0.75  1.0
  Au  Au0  1  0.24  0.97  0.14  1.0
  Se  Se3  1  0.42  0.0  0.83  1.0

data_Bi2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.77
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2AuSe
_chemical_formula_sum   'Bi2 Au1 Se1'
_cell_volume   106.13
_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
  Bi  Bi0  1  0.63  0.25  0.03  1.0
  Bi  Bi1  1  0.7  0.79  0.0  1.0
  Au  Au2  1  0.76  0.86  0.03  1.0
  Se  Se3  1  0.58  0.17  0.0  1.0

Bi Bi Au Se