data_LaZn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.68
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   104.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Ir
_chemical_formula_sum   'La1 Zn2 Ir1'
_cell_volume   79.73
_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  0.0  1.0
  Zn  Zn2  1  0.68  0.34  0.56  1.0
  Zn  Zn3  1  0.27  0.34  0.67  1.0
  Ir  Ir0  1  0.97  0.0  0.61  1.0

data_LaZn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.68
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   104.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Ir
_chemical_formula_sum   'La1 Zn2 Ir1'
_cell_volume   79.73
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.27  0.34  0.67  1.0
  Zn  Zn2  1  0.68  0.34  0.56  1.0
  Ir  Ir3  1  0.97  0.0  0.61  1.0

La Zn Zn Ir