data_BTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.69
_cell_angle_alpha   25.38
_cell_angle_beta   25.38
_cell_angle_gamma   25.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTeAu2
_chemical_formula_sum   'B1 Te1 Au2'
_cell_volume   73.63
_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
  B  B2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.16  1.0
  Au  Au0  1  0.0  0.0  0.18  1.0
  Au  Au1  1  0.0  0.0  0.14  1.0

data_BTeAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   3.38
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   104.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BTeAu2
_chemical_formula_sum   'B2 Te2 Au4'
_cell_volume   147.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  B  B0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.84  1.0
  Au  Au2  2  0.0  0.0  0.82  1.0
  Au  Au3  2  0.0  0.0  0.86  1.0

B Te Au Au