data_[Th4Sn1Bi2Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8354]
_cell_length_b [4.5489]
_cell_length_c [7.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4SnBi2Te]
_chemical_formula_sum '[Th4 Sn1 Bi2 Te1]'
_cell_volume [266.7462]
_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
[
  Th  Th0  2  0.2470  0.0000  0.7376  1
  Th  Th1  2  0.2555  0.5000  0.2620  1
  Sn  Sn2  1  0.5000  0.0000  0.5000  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  Bi  Bi4  1  0.5000  0.5000  0.0000  1
  Te  Te5  1  0.0000  0.5000  0.5000  1
]