data_[Sm2Tl4Ag2Sb4]
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
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7480]
_cell_length_b [10.2837]
_cell_length_c [7.5227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SmTl2AgSb2]
_chemical_formula_sum '[Sm2 Tl4 Ag2 Sb4]'
_cell_volume [367.3118]
_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
[
  Sm  Sm0  2  0.0000  0.4662  0.9986  1.0
  Tl  Tl1  2  0.0000  0.1365  0.3484  1.0
  Tl  Tl2  2  0.5000  0.1205  0.0069  1.0
  Ag  Ag3  2  0.5000  0.3512  0.6645  1.0
  Sb  Sb4  2  0.0000  0.2183  0.7543  1.0
  Sb  Sb5  2  0.5000  0.3814  0.2730  1.0
]