data_[Th4In2Ag2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1638]
_cell_length_b [3.9464]
_cell_length_c [8.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th2InAgRu]
_chemical_formula_sum '[Th4 In2 Ag2 Ru2]'
_cell_volume [253.5139]
_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
[
  Th  Th0  2  0.0022  0.2500  0.7168  1
  Th  Th1  2  0.3503  0.7500  0.0950  1
  In  In2  2  0.3182  0.7500  0.6758  1
  Ag  Ag3  2  0.3578  0.2500  0.4372  1
  Ru  Ru4  2  0.1153  0.2500  0.1111  1
]