data_[Te4As4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.4064]
_cell_length_b [6.3692]
_cell_length_c [6.5014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [TeAsRu]
_chemical_formula_sum '[Te4 As4 Ru4]'
_cell_volume [243.2939]
_cell_formula_units_Z [4]
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
[
  Te  Te0  2  0.1523  0.8715  0.1223  1.0
  Te  Te1  2  0.3389  0.3677  0.4321  1.0
  As  As2  2  0.1457  0.6355  0.6319  1.0
  As  As3  2  0.3502  0.1419  0.9234  1.0
  Ru  Ru4  2  0.2685  0.9935  0.5512  1.0
  Ru  Ru5  2  0.2813  0.4937  0.0344  1.0
]