data_[Ca4Ta2Cr2O12]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4098]
_cell_length_b [5.5281]
_cell_length_c [9.4035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2TaCrO6]
_chemical_formula_sum '[Ca4 Ta2 Cr2 O12]'
_cell_volume [230.5288]
_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  0.2373  0.0478  0.7483  1
  Ta  Ta1  2  0.5000  0.0000  0.5000  1
  Cr  Cr2  2  0.0000  0.0000  0.0000  1
  O  O3  4  0.1595  0.2046  0.4547  1
  O  O4  4  0.2490  0.7072  0.4518  1
  O  O5  4  0.3401  0.0260  0.2506  1
]