data_[Y14Te4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9839]
_cell_length_b [15.8946]
_cell_length_c [9.3992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y7(TeRu)2]
_chemical_formula_sum '[Y14 Te4 Ru4]'
_cell_volume [595.1839]
_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
[
  Y  Y0  4  0.0000  0.1495  0.7382  1.0
  Y  Y1  4  0.0000  0.1838  0.1019  1.0
  Y  Y2  4  0.0000  0.3678  0.8944  1.0
  Y  Y3  2  0.0000  0.5000  0.4781  1.0
  Te  Te4  2  0.0000  0.0000  0.2410  1.0
  Te  Te5  2  0.0000  0.5000  0.1426  1.0
  Ru  Ru6  4  0.0000  0.2608  0.4078  1.0
]