data_[Sm4Tl1Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6951]
_cell_length_b [4.9723]
_cell_length_c [12.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4TlCd3]
_chemical_formula_sum '[Sm4 Tl1 Cd3]'
_cell_volume [227.5056]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.0000  0.0000  0.1587  1
  Sm  Sm1  1  0.0000  0.5000  0.8397  1
  Sm  Sm2  1  0.5000  0.0000  0.6582  1
  Sm  Sm3  1  0.5000  0.5000  0.3436  1
  Tl  Tl4  1  0.5000  0.5000  0.0759  1
  Cd  Cd5  1  0.0000  0.0000  0.4283  1
  Cd  Cd6  1  0.0000  0.5000  0.5714  1
  Cd  Cd7  1  0.5000  0.0000  0.9242  1
]