data_[Ac6Al14Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1220]
_cell_length_b [4.3305]
_cell_length_c [10.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Al7Rh4]
_chemical_formula_sum '[Ac6 Al14 Rh8]'
_cell_volume [573.3450]
_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  0.1961  0.5000  0.1992  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  Al  Al2  4  0.0040  0.5000  0.7929  1
  Al  Al3  4  0.1526  0.0000  0.9216  1
  Al  Al4  4  0.1840  0.5000  0.5117  1
  Al  Al5  2  0.0000  0.0000  0.0000  1
  Rh  Rh6  4  0.1104  0.0000  0.3312  1
  Rh  Rh7  4  0.1584  0.5000  0.7910  1
]