data_[Ce2Sn4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5814]
_cell_length_b [4.6458]
_cell_length_c [9.6954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSn2Ir]
_chemical_formula_sum '[Ce2 Sn4 Ir2]'
_cell_volume [202.0578]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  2  0.1496  0.2500  0.2277  1
  Sn  Sn1  2  0.2443  0.7500  0.5021  1
  Sn  Sn2  2  0.3772  0.2500  0.9157  1
  Ir  Ir3  2  0.3208  0.2500  0.6453  1
]