data_[Er16Zn2In4]
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 [18.2860]
_cell_length_b [5.1314]
_cell_length_c [6.7266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8ZnIn2]
_chemical_formula_sum '[Er16 Zn2 In4]'
_cell_volume [613.4307]
_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  4  0.0177  0.0000  0.7699  1.0
  Er  Er1  4  0.0923  0.5000  0.4561  1.0
  Er  Er2  4  0.1522  0.5000  0.9649  1.0
  Er  Er3  4  0.2028  0.0000  0.2903  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  In  In5  4  0.1872  0.0000  0.7378  1.0
]