data_[Ca2La6Y12Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  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 [6.3004]
_cell_length_b [10.9063]
_cell_length_c [11.8654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaLa3(Y3Er)2]
_chemical_formula_sum '[Ca2 La6 Y12 Er4]'
_cell_volume [802.2241]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1.0
  La  La1  4  0.0000  0.1655  0.5000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  8  0.2483  0.3305  0.7526  1.0
  Y  Y4  4  0.2430  0.5000  0.2472  1.0
  Er  Er5  4  0.0000  0.3335  0.0000  1.0
]