data_[Ca4Ac4Rh2Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9917]
_cell_length_b [4.1546]
_cell_length_c [7.9988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ac2RhAu2]
_chemical_formula_sum '[Ca4 Ac4 Rh2 Au4]'
_cell_volume [441.7992]
_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  0.2113  0.0000  0.2760  1
  Ac  Ac1  4  0.0372  0.5000  0.7811  1
  Rh  Rh2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.1176  0.0000  0.5542  1
]