data_[Ca2Dy6Y12Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  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 [6.2069]
_cell_length_b [10.7412]
_cell_length_c [11.8625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaDy3(Y3Er)2]
_chemical_formula_sum '[Ca2 Dy6 Y12 Er4]'
_cell_volume [778.7141]
_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
  Y  Y1  8  0.2458  0.3304  0.7475  1.0
  Dy  Dy2  4  0.0000  0.1658  0.5000  1.0
  Y  Y3  4  0.2456  0.5000  0.2529  1.0
  Dy  Dy4  2  0.0000  0.5000  0.5000  1.0
  Er  Er5  4  0.0000  0.3335  0.0000  1.0
]