data_[Y8Er8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0447]
_cell_length_b [5.4453]
_cell_length_c [9.3867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Er2In]
_chemical_formula_sum '[Y8 Er8 In4]'
_cell_volume [593.9740]
_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
[
  Y  Y0  4  0.0255  0.0000  0.3416  1.0
  Y  Y1  4  0.1558  0.0000  0.0509  1.0
  Er  Er2  4  0.0237  0.5000  0.8416  1.0
  Er  Er3  4  0.1523  0.5000  0.5521  1.0
  In  In4  4  0.2499  0.5000  0.2540  1.0
]