data_[Y8Er2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.1064]
_cell_length_b [9.1064]
_cell_length_c [5.7785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Y4ErSe5]
_chemical_formula_sum '[Y8 Er2 Se10]'
_cell_volume [479.1890]
_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  8  0.0975  0.3025  0.5000  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Se  Se2  8  0.1007  0.2959  0.0000  1
  Se  Se3  2  0.0000  0.0000  0.5000  1
]