data_YTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   38.49
_cell_angle_beta   38.49
_cell_angle_gamma   38.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTe2Ru
_chemical_formula_sum   'Y1 Te2 Ru1'
_cell_volume   97.1
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.89  1.0
  Te  Te2  1  0.0  0.0  0.24  1.0
  Ru  Ru0  1  0.0  0.0  0.06  1.0

data_YTe2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.46
_cell_length_b   4.31
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   112.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTe2Ru
_chemical_formula_sum   'Y2 Te4 Ru2'
_cell_volume   194.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.11  1.0
  Te  Te2  2  0.0  0.0  0.76  1.0
  Ru  Ru3  2  0.0  0.0  0.94  1.0

Y Te Te Ru
Y Te Te Ru 0 3 o o o 0 1 o o - 2 3 o o o 