data_[Er16Zn2In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.1502]
_cell_length_b [9.1502]
_cell_length_c [9.2280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Er8ZnIn5]
_chemical_formula_sum '[Er16 Zn2 In10]'
_cell_volume [772.6236]
_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  8  0.0729  0.8132  0.1956  1
  Er  Er1  8  0.0764  0.6716  0.5402  1
  Zn  Zn2  2  0.0000  0.5000  0.2500  1
  In  In3  8  0.1220  0.7479  0.8675  1
  In  In4  2  0.0000  0.0000  0.5000  1
]