data_[Sm2Th4Bi4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.9432]
_cell_length_b [5.9432]
_cell_length_c [15.6883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [SmTh2(BiTe)2]
_chemical_formula_sum '[Sm2 Th4 Bi4 Te4]'
_cell_volume [554.1323]
_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  0.0000  0.0000  1
  Th  Th1  4  0.0000  0.0000  0.3875  1
  Bi  Bi2  4  0.0000  0.5000  0.0000  1
  Te  Te3  4  0.0000  0.0000  0.1966  1
]