data_La2TaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   3.96
_cell_angle_alpha   102.24
_cell_angle_beta   102.24
_cell_angle_gamma   22.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaIr
_chemical_formula_sum   'La2 Ta1 Ir1'
_cell_volume   115.32
_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  0.13  0.0  0.5  1.0
  La  La2  1  0.32  0.0  0.36  1.0
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.22  0.0  0.93  1.0

data_La2TaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.96
_cell_length_c   8.82
_cell_angle_alpha   102.24
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaIr
_chemical_formula_sum   'La2 Ta1 Ir1'
_cell_volume   115.32
_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  0.36  0.32  1.0
  La  La1  1  0.0  0.5  0.13  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.93  0.22  1.0

La La Ta Ir