data_[Th4Bi2Ru1Se1]
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
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6158]
_cell_length_b [4.2800]
_cell_length_c [7.8525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Bi2RuSe]
_chemical_formula_sum '[Th4 Bi2 Ru1 Se1]'
_cell_volume [242.3132]
_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  0.2502  0.5000  0.2179  1
  Th  Th1  2  0.2858  0.0000  0.7947  1
  Bi  Bi2  1  0.0000  0.5000  0.5000  1
  Bi  Bi3  1  0.5000  0.0000  0.5000  1
  Ru  Ru4  1  0.5000  0.5000  0.0000  1
  Se  Se5  1  0.0000  0.0000  0.0000  1
]