data_[Sm4Tl5Zn2]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1963]
_cell_length_b [3.7653]
_cell_length_c [9.6631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Tl5Zn2]
_chemical_formula_sum '[Sm4 Tl5 Zn2]'
_cell_volume [298.1884]
_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  2  0.2085  0.5000  0.8571  1
  Sm  Sm1  2  0.2376  0.5000  0.4019  1
  Tl  Tl2  2  0.1302  0.0000  0.1336  1
  Tl  Tl3  2  0.4361  0.0000  0.6552  1
  Tl  Tl4  1  0.5000  0.0000  0.0000  1
  Zn  Zn5  2  0.0736  0.0000  0.6192  1
]