data_[Ca4Ac4Pr2Nd2]
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
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.4451]
_cell_length_b [11.5957]
_cell_length_c [7.7540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ca2Ac2PrNd]
_chemical_formula_sum '[Ca4 Ac4 Pr2 Nd2]'
_cell_volume [489.5865]
_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  0.1696  0.8816  1
  Ca  Ca1  2  0.5000  0.0032  0.1269  1
  Ac  Ac2  2  0.0000  0.1800  0.3766  1
  Ac  Ac3  2  0.5000  0.3416  0.6292  1
  Pr  Pr4  2  0.5000  0.3425  0.1436  1
  Nd  Nd5  2  0.0000  0.4995  0.3876  1
]