data_[Ca3Ac12In9]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8632]
_cell_length_b [5.8632]
_cell_length_c [29.2331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaAc4In3]
_chemical_formula_sum '[Ca3 Ac12 In9]'
_cell_volume [870.3034]
_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  3  0.0000  0.0000  0.0000  1
  Ac  Ac1  6  0.0000  0.0000  0.1332  1
  Ac  Ac2  6  0.0000  0.0000  0.3855  1
  In  In3  6  0.0000  0.0000  0.2626  1
  In  In4  3  -0.0000  -0.0000  0.5000  1
]