data_[Li4Sm6Cd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.6681]
_cell_length_b [10.6681]
_cell_length_c [4.1850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2Sm3Cd5]
_chemical_formula_sum '[Li4 Sm6 Cd10]'
_cell_volume [476.2909]
_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
[
  Li  Li0  4  0.1142  0.6142  0.0000  1
  Sm  Sm1  4  0.1795  0.3205  0.0000  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Cd  Cd3  8  0.0607  0.7811  0.5000  1
  Cd  Cd4  2  0.0000  0.5000  0.5000  1
]