data_TeAuCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.88
_cell_length_c   29.56
_cell_angle_alpha   92.71
_cell_angle_beta   92.39
_cell_angle_gamma   79.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAuCl7
_chemical_formula_sum   'Te1 Au1 Cl7'
_cell_volume   1316.57
_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
  Te  Te0  1  0.27  0.89  0.08  1.0
  Au  Au1  1  0.98  0.46  0.06  1.0
  Cl  Cl2  1  0.98  0.21  0.0  1.0
  Cl  Cl3  1  0.52  0.05  0.04  1.0
  Cl  Cl4  1  0.97  0.23  0.11  1.0
  Cl  Cl5  1  0.99  0.69  0.01  1.0
  Cl  Cl6  1  0.42  0.92  0.15  1.0
  Cl  Cl7  1  0.98  0.7  0.12  1.0
  Cl  Cl8  1  0.47  0.57  0.06  1.0

Te Au Cl Cl Cl Cl Cl Cl Cl 0 8 o o o 0 3 o + o 0 6 o o o 1 2 o o o 1 4 o o o 1 5 o o o 1 7 o o o 
data_TeAuCl7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.59
_cell_length_b   6.88
_cell_length_c   29.56
_cell_angle_alpha   87.29
_cell_angle_beta   87.61
_cell_angle_gamma   79.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAuCl7
_chemical_formula_sum   'Te1 Au1 Cl7'
_cell_volume   1316.57
_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
  Te  Te0  1  0.73  0.11  0.08  1.0
  Au  Au1  1  0.02  0.54  0.06  1.0
  Cl  Cl2  1  0.01  0.31  0.01  1.0
  Cl  Cl3  1  0.02  0.3  0.12  1.0
  Cl  Cl4  1  0.02  0.79  0.0  1.0
  Cl  Cl5  1  0.03  0.77  0.11  1.0
  Cl  Cl6  1  0.48  0.95  0.04  1.0
  Cl  Cl7  1  0.53  0.43  0.06  1.0
  Cl  Cl8  1  0.58  0.08  0.15  1.0
