data_[Ca2Dy2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.7767]
_cell_length_b [3.7683]
_cell_length_c [6.6373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaDyO4]
_chemical_formula_sum '[Ca2 Dy2 O8]'
_cell_volume [168.6900]
_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  0.0660  0.0000  0.0366  1
  Dy  Dy1  2  0.4329  0.0000  0.4500  1
  O  O2  2  0.1028  0.0000  0.4120  1
  O  O3  2  0.1608  0.5000  0.7824  1
  O  O4  2  0.3363  0.5000  0.6977  1
  O  O5  2  0.4012  0.0000  0.1214  1
]