data_BTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   141.94
_cell_angle_beta   141.94
_cell_angle_gamma   54.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTeAu2
_chemical_formula_sum   'B1 Te1 Au2'
_cell_volume   75.85
_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  0.2  1.0
  Au  Au0  1  0.0  0.91  0.6  1.0
  Au  Au1  1  0.91  0.0  0.6  1.0

data_BTeAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   117.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BTeAu2
_chemical_formula_sum   'B2 Te2 Au4'
_cell_volume   151.7
_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  0.2  0.0  0.2  1.0
  Au  Au2  4  0.14  0.46  0.69  1.0

B Te Au Au
B Te Au Au 0 1 o o o 2 3 - + o 