data_[Ca4Pm20Sm8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.1009]
_cell_length_b [11.7044]
_cell_length_c [16.0862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaPm5Sm2]
_chemical_formula_sum '[Ca4 Pm20 Sm8]'
_cell_volume [1148.6796]
_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  0.2500  0.9032  1
  Pm  Pm1  8  0.0000  0.0629  0.1059  1
  Pm  Pm2  8  0.0000  0.0817  0.6958  1
  Pm  Pm3  4  0.0000  0.2500  0.4521  1
  Sm  Sm4  4  0.0000  0.0000  0.5000  1
  Sm  Sm5  4  0.2500  0.2500  0.2500  1
]