data_[Ca4Gd2Ta2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Gd  1.2000  1.8000  1.0750
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6554]
_cell_length_b [5.8962]
_cell_length_c [9.9470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2GdTaO6]
_chemical_formula_sum '[Ca4 Gd2 Ta2 O12]'
_cell_volume [272.5161]
_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  0.2692  0.0524  0.7546  1.0
  Gd  Gd1  2  0.5000  0.0000  0.5000  1.0
  Ta  Ta2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1151  0.0528  0.2310  1.0
  O  O4  4  0.2442  0.7159  0.0692  1.0
  O  O5  4  0.3441  0.1808  0.0548  1.0
]