data_Te5Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   31.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te5Ru
_chemical_formula_sum   'Te5 Ru1'
_cell_volume   175.1
_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
  Te  Te1  1  0.0  0.0  0.23  1.0
  Te  Te2  1  0.0  0.0  0.81  1.0
  Te  Te3  1  0.93  0.0  0.97  1.0
  Te  Te4  1  0.93  0.0  0.09  1.0
  Te  Te5  1  0.93  0.0  0.76  1.0
  Ru  Ru0  1  0.0  0.0  0.83  1.0

data_Te5Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.86
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   105.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te5Ru
_chemical_formula_sum   'Te5 Ru1'
_cell_volume   175.1
_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
  Te  Te0  1  0.03  0.93  0.03  1.0
  Te  Te1  1  0.19  0.0  0.19  1.0
  Te  Te2  1  0.24  0.93  0.24  1.0
  Te  Te3  1  0.77  0.0  0.77  1.0
  Te  Te4  1  0.91  0.93  0.91  1.0
  Ru  Ru5  1  0.17  0.0  0.17  1.0

Te Te Te Te Te Ru
Te Te Te Te Te Ru 0 3 - o o 1 5 o o o 1 4 - o o 2 3 o o + 