data_[Ca2Sm6Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3574]
_cell_length_b [5.2304]
_cell_length_c [11.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca(SmCd2)3]
_chemical_formula_sum '[Ca2 Sm6 Cd12]'
_cell_volume [530.1825]
_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  0.0538  0.2500  0.3943  1
  Sm  Sm1  2  0.2377  0.2500  0.9986  1
  Sm  Sm2  2  0.3518  0.7500  0.7899  1
  Sm  Sm3  2  0.4709  0.2500  0.6090  1
  Cd  Cd4  2  0.0517  0.7500  0.8974  1
  Cd  Cd5  2  0.1424  0.7500  0.1924  1
  Cd  Cd6  2  0.1500  0.2500  0.6953  1
  Cd  Cd7  2  0.2426  0.7500  0.4937  1
  Cd  Cd8  2  0.3361  0.2500  0.2936  1
  Cd  Cd9  2  0.4465  0.7500  0.0910  1
]