data_[Ca2Ac4Pr12]
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
  Pr  1.1300  1.8500  1.0600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5722]
_cell_length_b [8.5127]
_cell_length_c [11.3298]
_cell_angle_alpha [102.8247]
_cell_angle_beta [90.0587]
_cell_angle_gamma [102.4842]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca(AcPr3)2]
_chemical_formula_sum '[Ca2 Ac4 Pr12]'
_cell_volume [694.3454]
_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  0.0807  0.8340  0.8887  1
  Ac  Ac1  2  0.2423  0.4928  0.6662  1
  Ac  Ac2  2  0.4125  0.1633  0.4378  1
  Pr  Pr3  2  0.0858  0.8281  0.2211  1
  Pr  Pr4  2  0.0861  0.8410  0.5543  1
  Pr  Pr5  2  0.2563  0.4982  0.0017  1
  Pr  Pr6  2  0.2592  0.5068  0.3334  1
  Pr  Pr7  2  0.4226  0.1732  0.7834  1
  Pr  Pr8  2  0.4236  0.1714  0.1090  1
]