data_[Ca4Nd2Ta2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.6593]
_cell_length_b [5.9360]
_cell_length_c [9.9524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ca2NdTaO6]
_chemical_formula_sum '[Ca4 Nd2 Ta2 O12]'
_cell_volume [275.7413]
_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  0.2692  0.1954  0.7552  1.0
  Ca  Ca1  2  0.4998  0.2470  0.5005  1.0
  Nd  Nd2  2  0.7295  0.3066  0.2445  1.0
  Ta  Ta3  2  0.9985  0.2490  0.9986  1.0
  O  O4  2  0.1089  0.1932  0.2293  1.0
  O  O5  2  0.2436  0.4689  0.5714  1.0
  O  O6  2  0.3459  0.0750  0.0538  1.0
  O  O7  2  0.6583  0.4278  0.9482  1.0
  O  O8  2  0.7599  0.0359  0.4279  1.0
  O  O9  2  0.8865  0.3075  0.7707  1.0
]