data_[Ca2Bi6Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7455]
_cell_length_b [7.7455]
_cell_length_c [6.0696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CaBi3Rh2]
_chemical_formula_sum '[Ca2 Bi6 Rh4]'
_cell_volume [315.3451]
_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  2  0.3333  0.6667  0.7160  1
  Bi  Bi1  6  0.1677  0.3354  0.2612  1
  Rh  Rh2  3  0.0000  0.5000  0.0000  1
  Rh  Rh3  1  0.0000  0.0000  0.0000  1
]