data_LaMo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36
_cell_length_b   10.36
_cell_length_c   10.36
_cell_angle_alpha   15.98
_cell_angle_beta   15.98
_cell_angle_gamma   15.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo2Ir
_chemical_formula_sum   'La1 Mo2 Ir1'
_cell_volume   73.57
_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  0.61  1.0
  Mo  Mo2  1  0.0  0.0  0.3  1.0
  Mo  Mo3  1  0.0  0.0  0.13  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0

data_LaMo2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   99.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMo2Ir
_chemical_formula_sum   'La2 Mo4 Ir2'
_cell_volume   147.13
_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  2  0.0  0.0  0.39  1.0
  Mo  Mo1  2  0.0  0.0  0.7  1.0
  Mo  Mo2  2  0.0  0.0  0.87  1.0
  Ir  Ir3  2  0.0  0.0  1.0  1.0

La Mo Mo Ir