data_[Y8Er6In2]
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 [Pmmn]
_cell_length_a [5.3062]
_cell_length_b [10.8322]
_cell_length_c [8.5088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Y4Er3In]
_chemical_formula_sum '[Y8 Er6 In2]'
_cell_volume [489.0695]
_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  4  0.0000  0.2513  0.8576  1
  Y  Y1  2  0.0000  0.0000  0.1199  1
  Y  Y2  2  0.0000  0.5000  0.1542  1
  Er  Er3  4  0.0000  0.2205  0.3958  1
  Er  Er4  2  0.0000  0.5000  0.5983  1
  In  In5  2  0.0000  0.0000  0.6394  1
]