data_Te2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2AsRu
_chemical_formula_sum   'Te2 As1 Ru1'
_cell_volume   87.56
_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  0.58  0.58  0.13  1.0
  Te  Te3  1  0.58  0.58  0.64  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.39  1.0

data_Te2AsRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te2AsRu
_chemical_formula_sum   'Te4 As2 Ru2'
_cell_volume   175.11
_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
  Te  Te0  2  0.08  0.5  0.13  1.0
  Te  Te1  2  0.08  0.5  0.64  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.39  1.0

Te Te As Ru