data_Y2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   131.87
_cell_angle_beta   121.12
_cell_angle_gamma   79.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TeRu
_chemical_formula_sum   'Y2 Te1 Ru1'
_cell_volume   94.73
_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  Y2  1  0.18  0.0  0.84  1.0
  Y  Y3  1  0.0  0.63  0.28  1.0
  Te  Te1  1  0.0  0.0  0.12  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Y2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   5.26
_cell_length_c   5.36
_cell_angle_alpha   119.44
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TeRu
_chemical_formula_sum   'Y2 Te1 Ru1'
_cell_volume   94.73
_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  Y0  1  0.0  0.84  0.65  1.0
  Y  Y1  1  0.37  0.65  0.65  1.0
  Te  Te2  1  0.0  0.12  0.12  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Y Y Te Ru