data_La4Ta5
_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   92.83
_cell_angle_beta   92.83
_cell_angle_gamma   154.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Ta5
_chemical_formula_sum   'La4 Ta5'
_cell_volume   226.96
_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  0.5  0.0  1.0
  La  La1  1  0.0  0.71  0.0  1.0
  La  La2  1  0.5  0.0  0.0  1.0
  La  La3  1  0.71  0.0  0.0  1.0
  Ta  Ta4  1  0.0  0.0  0.0  1.0
  Ta  Ta5  1  0.05  0.05  0.0  1.0
  Ta  Ta6  1  0.45  0.55  0.81  1.0
  Ta  Ta7  1  0.55  0.45  0.81  1.0
  Ta  Ta8  1  0.55  0.55  0.81  1.0

data_La4Ta5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.61
_cell_length_b   15.85
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   102.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La4Ta5
_chemical_formula_sum   'La8 Ta10'
_cell_volume   453.91
_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  0.15  0.15  0.0  1.0
  La  La1  4  0.25  0.25  0.0  1.0
  Ta  Ta2  4  0.31  0.05  0.81  1.0
  Ta  Ta3  2  0.0  0.0  0.0  1.0
  Ta  Ta4  2  0.25  0.0  0.81  1.0
  Ta  Ta5  2  0.45  0.5  0.0  1.0

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