data_[Ca6Ac12La4Pr2]
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
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7700]
_cell_length_b [11.7314]
_cell_length_c [12.9536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Ac6La2Pr]
_chemical_formula_sum '[Ca6 Ac12 La4 Pr2]'
_cell_volume [1013.1373]
_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  4  0.0000  0.1666  0.5000  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Ac  Ac2  8  0.2476  0.1666  0.2431  1
  La  La3  4  0.0000  0.3333  0.0000  1
  Ac  Ac4  4  0.2478  0.5000  0.2431  1
  Pr  Pr5  2  0.0000  0.0000  0.0000  1
]