data_La7Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59
_cell_length_b   9.59
_cell_length_c   9.59
_cell_angle_alpha   43.09
_cell_angle_beta   43.09
_cell_angle_gamma   43.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7Si6
_chemical_formula_sum   'La7 Si6'
_cell_volume   373.41
_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
  La  La0  1  0.0  0.04  0.47  1.0
  La  La1  1  0.7  0.98  0.47  1.0
  La  La2  1  0.3  0.98  0.47  1.0
  La  La3  1  0.0  0.96  0.59  1.0
  La  La4  1  0.7  0.02  0.59  1.0
  La  La5  1  0.3  0.02  0.59  1.0
  La  La6  1  0.0  0.0  0.0  1.0
  Si  Si7  1  0.0  0.0  0.54  1.0
  Si  Si8  1  0.0  0.0  0.52  1.0
  Si  Si9  1  0.0  0.0  0.85  1.0
  Si  Si10  1  0.0  0.0  0.21  1.0
  Si  Si11  1  0.0  0.0  0.73  1.0
  Si  Si12  1  0.0  0.0  0.33  1.0

data_La7Si6
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   9.59
_cell_angle_alpha   68.45
_cell_angle_beta   68.45
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7Si6
_chemical_formula_sum   'La7 Si6'
_cell_volume   373.41
_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
  La  La0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.02  0.53  0.75  1.0
  La  La2  1  0.02  0.53  0.15  1.0
  La  La3  1  0.04  0.41  0.55  1.0
  La  La4  1  0.96  0.53  0.51  1.0
  La  La5  1  0.98  0.41  0.91  1.0
  La  La6  1  0.98  0.41  0.31  1.0
  Si  Si7  1  0.0  0.15  0.85  1.0
  Si  Si8  1  0.0  0.27  0.73  1.0
  Si  Si9  1  0.0  0.46  0.54  1.0
  Si  Si10  1  0.0  0.48  0.52  1.0
  Si  Si11  1  0.0  0.67  0.33  1.0
  Si  Si12  1  0.0  0.79  0.21  1.0

La La La La La La La Si Si Si Si Si Si