data_[Y2Er12In10]
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 [Immm]
_cell_length_a [4.9312]
_cell_length_b [8.7783]
_cell_length_c [14.9179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [YEr6In5]
_chemical_formula_sum '[Y2 Er12 In10]'
_cell_volume [645.7641]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Er  Er1  8  0.0000  0.2638  0.1699  1
  Er  Er2  4  0.0000  0.2259  0.5000  1
  In  In3  4  0.0000  0.0000  0.3221  1
  In  In4  4  0.0000  0.5000  0.3488  1
  In  In5  2  0.0000  0.5000  0.0000  1
]