data_[Ac4P4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8391]
_cell_length_b [4.4284]
_cell_length_c [6.0572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcPRh]
_chemical_formula_sum '[Ac4 P4 Rh4]'
_cell_volume [276.6849]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  4  0.1726  0.0000  0.7073  1
  P  P1  4  0.0858  0.0000  0.1640  1
  Rh  Rh2  4  0.0523  0.5000  0.2721  1
]