data_[Ca24Ac3Bi18]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.0428]
_cell_length_b [9.0428]
_cell_length_c [23.6736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ca8AcBi6]
_chemical_formula_sum '[Ca24 Ac3 Bi18]'
_cell_volume [1676.4715]
_cell_formula_units_Z [3]
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  18  0.0004  0.3366  0.8831  1
  Ca  Ca1  6  0.0000  0.0000  0.3335  1
  Ac  Ac2  3  0.0000  0.0000  0.0000  1
  Bi  Bi3  18  0.0001  0.3343  0.0745  1
]