data_La2MoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   139.0
_cell_angle_beta   139.0
_cell_angle_gamma   59.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MoIr
_chemical_formula_sum   'La2 Mo1 Ir1'
_cell_volume   91.04
_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  0.0  0.0  0.19  1.0
  La  La2  1  0.0  0.09  0.6  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.09  0.0  0.6  1.0

data_La2MoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.98
_cell_angle_alpha   110.5
_cell_angle_beta   110.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MoIr
_chemical_formula_sum   'La2 Mo1 Ir1'
_cell_volume   91.04
_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  0.5  0.09  0.5  1.0
  La  La1  1  0.81  0.0  0.81  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.4  0.0  0.5  1.0

La La Mo Ir