data_[Er8Zn4In8]
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 [C2/m]
_cell_length_a [11.0077]
_cell_length_b [4.6096]
_cell_length_c [10.7415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2ZnIn2]
_chemical_formula_sum '[Er8 Zn4 In8]'
_cell_volume [489.6793]
_cell_formula_units_Z [4]
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  4  0.0167  0.0000  0.3335  1
  Er  Er1  4  0.1775  0.0000  0.0971  1
  Zn  Zn2  4  0.2217  0.5000  0.3308  1
  In  In3  4  0.0306  0.5000  0.8798  1
  In  In4  4  0.1478  0.5000  0.5674  1
]