data_[Ca2Ta1In1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.7346]
_cell_length_b [5.7346]
_cell_length_c [4.3192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ca2TaInO6]
_chemical_formula_sum '[Ca2 Ta1 In1 O6]'
_cell_volume [142.0382]
_cell_formula_units_Z [1]
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  0.5000  0.0165  1
  Ta  Ta1  1  0.0000  0.0000  0.6129  1
  In  In2  1  0.5000  0.5000  0.6316  1
  O  O3  4  0.2366  0.2366  0.7092  1
  O  O4  1  0.0000  0.0000  0.1809  1
  O  O5  1  0.5000  0.5000  0.1515  1
]