data_[Ca2Dy10Y12]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0678]
_cell_length_b [15.2207]
_cell_length_c [10.1142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaDy5Y6]
_chemical_formula_sum '[Ca2 Dy10 Y12]'
_cell_volume [780.1579]
_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
  Y  Y1  8  0.0000  0.1694  0.2536  1
  Dy  Dy2  4  0.0000  0.3274  0.0000  1
  Dy  Dy3  4  0.0000  0.3331  0.5000  1
  Y  Y4  4  0.0000  0.5000  0.2588  1
  Dy  Dy5  2  0.0000  0.0000  0.5000  1
]