data_[Ac12Rh8Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2870]
_cell_length_b [8.0784]
_cell_length_c [9.1871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac6Rh4Se]
_chemical_formula_sum '[Ac12 Rh8 Se2]'
_cell_volume [666.4727]
_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
[
  Ac  Ac0  4  0.1799  0.2464  0.3491  1
  Ac  Ac1  4  0.3393  0.2460  0.0039  1
  Ac  Ac2  2  0.0231  0.5000  0.6521  1
  Ac  Ac3  2  0.4878  0.5000  0.6586  1
  Rh  Rh4  4  0.2635  0.2175  0.6846  1
  Rh  Rh5  2  0.4031  0.5000  0.2865  1
  Rh  Rh6  2  0.4284  0.0000  0.2917  1
  Se  Se7  2  0.0934  0.0000  0.0363  1
]