data_[Ca2Pm12Sm6]
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 [P2_1/m]
_cell_length_a [12.2510]
_cell_length_b [3.6009]
_cell_length_c [16.3943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca(Pm2Sm)3]
_chemical_formula_sum '[Ca2 Pm12 Sm6]'
_cell_volume [700.6225]
_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  0.3683  0.7500  0.9387  1
  Pm  Pm1  2  0.1196  0.2500  0.9807  1
  Pm  Pm2  2  0.1385  0.7500  0.1788  1
  Pm  Pm3  2  0.1601  0.2500  0.3852  1
  Pm  Pm4  2  0.3470  0.2500  0.7279  1
  Pm  Pm5  2  0.3843  0.2500  0.1478  1
  Pm  Pm6  2  0.3861  0.7500  0.5393  1
  Sm  Sm7  2  0.1026  0.7500  0.7828  1
  Sm  Sm8  2  0.1178  0.7500  0.5715  1
  Sm  Sm9  2  0.3879  0.7500  0.3305  1
]