data_La2TaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.35
_cell_angle_alpha   109.16
_cell_angle_beta   109.16
_cell_angle_gamma   36.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaSi
_chemical_formula_sum   'La2 Ta1 Si1'
_cell_volume   102.74
_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  0.14  0.0  0.16  1.0
  La  La1  1  0.13  0.0  0.44  1.0
  Ta  Ta3  1  0.54  0.0  0.37  1.0
  Si  Si2  1  0.25  0.0  0.57  1.0

data_La2TaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.35
_cell_length_c   5.9
_cell_angle_alpha   109.16
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaSi
_chemical_formula_sum   'La2 Ta1 Si1'
_cell_volume   102.74
_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  0.16  0.14  1.0
  La  La1  1  0.0  0.44  0.13  1.0
  Ta  Ta2  1  0.0  0.37  0.54  1.0
  Si  Si3  1  0.0  0.57  0.25  1.0

La La Ta Si
La La Ta Si 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 