data_[Ca6Ac6Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0364]
_cell_length_b [11.3796]
_cell_length_c [11.6104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca3Ac3Rh4]
_chemical_formula_sum '[Ca6 Ac6 Rh8]'
_cell_volume [533.2976]
_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  0.0000  0.2415  0.2471  1
  Ca  Ca1  2  0.5000  0.0000  0.1571  1
  Ac  Ac2  4  0.5000  0.1584  0.4994  1
  Ac  Ac3  2  0.5000  0.0000  0.8483  1
  Rh  Rh4  4  0.0000  0.1403  0.9975  1
  Rh  Rh5  2  0.0000  0.0000  0.3642  1
  Rh  Rh6  2  0.0000  0.0000  0.6422  1
]