data_LaTa2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.45
_cell_angle_alpha   95.03
_cell_angle_beta   95.03
_cell_angle_gamma   35.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Al
_chemical_formula_sum   'La1 Ta2 Al1'
_cell_volume   90.71
_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  La1  1  0.03  0.0  0.65  1.0
  Ta  Ta2  1  0.66  0.0  0.96  1.0
  Ta  Ta3  1  0.82  0.0  0.83  1.0
  Al  Al0  1  0.46  0.0  0.63  1.0

data_LaTa2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.93
_cell_length_c   6.45
_cell_angle_alpha   95.03
_cell_angle_beta   90.0
_cell_angle_gamma   107.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Al
_chemical_formula_sum   'La1 Ta2 Al1'
_cell_volume   90.71
_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  0.97  0.35  1.0
  Ta  Ta1  1  0.0  0.18  0.17  1.0
  Ta  Ta2  1  0.0  0.34  0.04  1.0
  Al  Al3  1  0.0  0.54  0.37  1.0

La Ta Ta Al
La Ta Ta Al 0 2 - o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 