data_[Ca6Cu3Rh9O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.2805]
_cell_length_b [6.2805]
_cell_length_c [16.2274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca2CuRh3O8]
_chemical_formula_sum '[Ca6 Cu3 Rh9 O24]'
_cell_volume [554.3267]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1232  1.0
  Ca  Ca1  3  0.0000  0.0000  0.4969  1.0
  Cu  Cu2  3  0.0000  0.0000  0.9189  1.0
  Rh  Rh3  9  0.1671  0.3343  0.3294  1.0
  O  O4  9  0.0221  0.5111  0.2627  1.0
  O  O5  9  0.1828  0.3656  0.0624  1.0
  O  O6  3  0.0000  0.0000  0.2648  1.0
  O  O7  3  0.0000  0.0000  0.7253  1.0
]