data_[Ca4Ta2V2O12]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4812]
_cell_length_b [5.6222]
_cell_length_c [9.5347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2TaVO6]
_chemical_formula_sum '[Ca4 Ta2 V2 O12]'
_cell_volume [240.8997]
_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  0.2638  0.5496  0.7511  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  V  V2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1569  0.5270  0.2476  1.0
  O  O4  4  0.2482  0.2119  0.0491  1.0
  O  O5  4  0.3393  0.7046  0.0455  1.0
]