data_[Ca2Sm10Cd12]
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 [Cmmm]
_cell_length_a [5.3971]
_cell_length_b [16.1627]
_cell_length_c [7.6505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaSm5Cd6]
_chemical_formula_sum '[Ca2 Sm10 Cd12]'
_cell_volume [667.3616]
_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  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.3329  0.5000  1
  Sm  Sm2  4  0.0000  0.3346  0.0000  1
  Sm  Sm3  2  0.0000  0.0000  0.5000  1
  Cd  Cd4  8  0.0000  0.1671  0.2498  1
  Cd  Cd5  4  0.0000  0.5000  0.2519  1
]