data_La8Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   95.43
_cell_angle_beta   95.43
_cell_angle_gamma   144.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La8Ta
_chemical_formula_sum   'La8 Ta1'
_cell_volume   299.77
_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  0.48  0.0  1.0
  La  La1  1  0.0  0.46  0.0  1.0
  La  La2  1  0.46  0.0  0.0  1.0
  La  La3  1  0.32  0.68  0.5  1.0
  La  La4  1  0.79  0.79  0.0  1.0
  La  La5  1  0.48  0.0  0.0  1.0
  La  La6  1  0.68  0.68  0.5  1.0
  La  La7  1  0.68  0.32  0.5  1.0
  Ta  Ta8  1  0.0  0.0  0.0  1.0

data_La8Ta
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   15.48
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La8Ta
_chemical_formula_sum   'La16 Ta2'
_cell_volume   599.55
_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
  La  La0  4  0.0  0.32  0.5  1.0
  La  La1  4  0.26  0.26  0.0  1.0
  La  La2  4  0.27  0.27  0.0  1.0
  La  La3  2  0.21  0.0  -0.0  1.0
  La  La4  2  0.32  0.0  0.5  1.0
  Ta  Ta5  2  0.0  0.0  0.0  1.0

La La La La La La La La Ta
La La La La La La La La Ta 0 1 o o o 2 5 o o o 3 7 - o o 3 7 o + o 3 6 o o o 4 8 + + o 6 7 o o o 