data_Te2MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.62
_cell_angle_alpha   101.44
_cell_angle_beta   101.44
_cell_angle_gamma   37.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2MoRu
_chemical_formula_sum   'Te2 Mo1 Ru1'
_cell_volume   75.13
_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  Te2  1  0.93  0.0  0.36  1.0
  Te  Te3  1  0.76  0.0  0.05  1.0
  Mo  Mo0  1  0.52  0.0  0.56  1.0
  Ru  Ru1  1  0.18  0.0  0.81  1.0

data_Te2MoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.62
_cell_length_c   5.22
_cell_angle_alpha   101.44
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2MoRu
_chemical_formula_sum   'Te2 Mo1 Ru1'
_cell_volume   75.13
_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  0.0  0.05  0.76  1.0
  Te  Te1  1  0.0  0.36  0.93  1.0
  Mo  Mo2  1  0.0  0.56  0.52  1.0
  Ru  Ru3  1  0.0  0.81  0.18  1.0

Te Te Mo Ru