data_Cu2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeRu
_chemical_formula_sum   'Cu2 Te1 Ru1'
_cell_volume   66.97
_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
  Cu  Cu0  1  0.0  0.0  0.27  1.0
  Cu  Cu1  1  0.59  0.0  0.42  1.0
  Te  Te3  1  0.59  0.0  0.25  1.0
  Ru  Ru2  1  0.0  0.0  0.41  1.0

data_Cu2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeRu
_chemical_formula_sum   'Cu2 Te1 Ru1'
_cell_volume   66.97
_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
  Cu  Cu0  1  0.0  0.0  0.27  1.0
  Cu  Cu1  1  0.59  0.0  0.42  1.0
  Te  Te2  1  0.59  0.0  0.25  1.0
  Ru  Ru3  1  0.0  0.0  0.41  1.0

Cu Cu Te Ru