data_[Ca4La4Pm8Nd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3292]
_cell_length_b [15.8117]
_cell_length_c [9.9069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaLa(PmNd3)2]
_chemical_formula_sum '[Ca4 La4 Pm8 Nd24]'
_cell_volume [1451.2796]
_cell_formula_units_Z [4]
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  0.0270  0.2500  1
  La  La1  4  0.0000  0.4063  0.7500  1
  Pm  Pm2  8  0.2470  0.0557  0.5433  1
  Nd  Nd3  8  0.0613  0.1869  0.9446  1
  Nd  Nd4  8  0.1049  0.3947  0.1191  1
  Nd  Nd5  8  0.2046  0.2324  0.3202  1
]