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/c]
_cell_length_a [6.4345]
_cell_length_b [6.3669]
_cell_length_c [6.4903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeAsRu]
_chemical_formula_sum '[Te4 As4 Ru4]'
_cell_volume [243.7614]
_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  4  0.1558  0.6254  0.3671  1.0
  As  As1  4  0.3534  0.1449  0.6692  1.0
  Ru  Ru2  4  0.2842  0.0084  0.2947  1.0
]