data_BTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   30.94
_cell_angle_beta   30.94
_cell_angle_gamma   30.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTe2Au
_chemical_formula_sum   'B1 Te2 Au1'
_cell_volume   81.82
_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  B1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.29  1.0
  Te  Te3  1  0.0  0.0  0.8  1.0
  Au  Au0  1  0.0  0.0  0.05  1.0

data_BTe2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.5
_cell_length_b   3.76
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BTe2Au
_chemical_formula_sum   'B2 Te4 Au2'
_cell_volume   163.63
_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  0.2  1.0
  Te  Te2  2  0.0  0.0  0.71  1.0
  Au  Au3  2  0.0  0.0  0.95  1.0

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