data_[Th4Bi2Sb1As1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7747]
_cell_length_b [4.4507]
_cell_length_c [7.8362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Bi2SbAs]
_chemical_formula_sum '[Th4 Bi2 Sb1 As1]'
_cell_volume [256.2890]
_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  0.2572  0.5000  0.2289  1
  Th  Th1  2  0.2721  0.0000  0.7788  1
  Bi  Bi2  1  0.0000  0.5000  0.5000  1
  Bi  Bi3  1  0.5000  0.0000  0.5000  1
  Sb  Sb4  1  0.0000  0.0000  0.0000  1
  As  As5  1  0.5000  0.5000  0.0000  1
]