data_[Ca6Ac2Cd4]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.2882]
_cell_length_b [10.1619]
_cell_length_c [7.6525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ca3AcCd2]
_chemical_formula_sum '[Ca6 Ac2 Cd4]'
_cell_volume [411.2277]
_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
[
  Ca  Ca0  2  0.0000  0.0651  0.4669  1
  Ca  Ca1  2  0.0000  0.3055  0.8438  1
  Ca  Ca2  2  0.5000  0.1814  0.1578  1
  Ac  Ac3  2  0.5000  0.4418  0.5349  1
  Cd  Cd4  2  0.0000  0.3692  0.2617  1
  Cd  Cd5  2  0.5000  0.1296  0.7350  1
]