data_[Ca4Ta2Rh2O12]
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
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4772]
_cell_length_b [5.6390]
_cell_length_c [9.5015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2TaRhO6]
_chemical_formula_sum '[Ca4 Ta2 Rh2 O12]'
_cell_volume [241.6873]
_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  0.2664  0.0532  0.2528  1
  Ta  Ta1  2  0.0000  0.0000  0.5000  1
  Rh  Rh2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1508  0.0296  0.7460  1
  O  O4  4  0.2480  0.7101  0.5514  1
  O  O5  4  0.3404  0.1983  0.5456  1
]