data_[La6Ce4Y12Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [C2/m]
_cell_length_a [6.2583]
_cell_length_b [10.8229]
_cell_length_c [11.8638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Ce2Y6Er]
_chemical_formula_sum '[La6 Ce4 Y12 Er2]'
_cell_volume [791.1502]
_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
[
  La  La0  4  0.0000  0.1663  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3334  0.0000  1.0
  Y  Y3  8  0.2485  0.1678  0.2438  1.0
  Y  Y4  4  0.2455  0.5000  0.2441  1.0
  Er  Er5  2  0.0000  0.0000  0.0000  1.0
]