data_LaMnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.83
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnIr2
_chemical_formula_sum   'La1 Mn1 Ir2'
_cell_volume   70.92
_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  La2  1  0.4  0.91  0.3  1.0
  Mn  Mn3  1  0.0  0.0  0.51  1.0
  Ir  Ir0  1  0.4  0.91  0.45  1.0
  Ir  Ir1  1  0.0  0.0  0.32  1.0

data_LaMnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.83
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnIr2
_chemical_formula_sum   'La1 Mn1 Ir2'
_cell_volume   70.92
_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  0.4  0.91  0.3  1.0
  Mn  Mn1  1  0.0  0.0  0.51  1.0
  Ir  Ir2  1  0.0  0.0  0.32  1.0
  Ir  Ir3  1  0.4  0.91  0.45  1.0

La Mn Ir Ir