data_[Ca4Dy2Ta2O12]
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
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8749]
_cell_length_b [5.8378]
_cell_length_c [5.7308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2DyTaO6]
_chemical_formula_sum '[Ca4 Dy2 Ta2 O12]'
_cell_volume [272.9844]
_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  4  0.2483  0.0000  0.7185  1.0
  Dy  Dy1  2  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0689  0.2601  0.3363  1.0
  O  O4  4  0.2305  0.5000  0.8540  1.0
]