data_[Ce2Y8Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3129]
_cell_length_b [7.2770]
_cell_length_c [6.2856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CeY4Er3]
_chemical_formula_sum '[Ce2 Y8 Er6]'
_cell_volume [517.4557]
_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
[
  Ce  Ce0  2  0.0000  0.3791  0.1491  1.0
  Y  Y1  4  0.2496  0.1285  0.9866  1.0
  Y  Y2  2  0.0000  0.1290  0.6444  1.0
  Y  Y3  2  0.0000  0.8716  0.1429  1.0
  Er  Er4  4  0.2499  0.3789  0.4780  1.0
  Er  Er5  2  0.0000  0.6217  0.6497  1.0
]