data_[Ca4Ti2Rh2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ti  1.5400  1.4000  0.8517
  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 [5.4148]
_cell_length_b [5.5479]
_cell_length_c [9.4168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2TiRhO6]
_chemical_formula_sum '[Ca4 Ti2 Rh2 O12]'
_cell_volume [231.8592]
_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  0.2620  0.5508  0.7505  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1620  0.5227  0.2469  1.0
  O  O4  4  0.2455  0.2094  0.0452  1.0
  O  O5  4  0.3375  0.7023  0.0433  1.0
]