data_[Er2Sn6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0413]
_cell_length_b [4.5340]
_cell_length_c [5.1356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ErSn3Ir]
_chemical_formula_sum '[Er2 Sn6 Ir2]'
_cell_volume [249.0007]
_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
[
  Er  Er0  2  0.4325  0.0000  0.5635  1
  Sn  Sn1  2  0.1429  0.0000  0.6188  1
  Sn  Sn2  2  0.1813  0.5000  0.1176  1
  Sn  Sn3  2  0.4755  0.5000  0.0434  1
  Ir  Ir4  2  0.2686  0.5000  0.6536  1
]