data_Nb2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.93
_cell_angle_alpha   107.39
_cell_angle_beta   107.39
_cell_angle_gamma   37.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TeRu
_chemical_formula_sum   'Nb2 Te1 Ru1'
_cell_volume   72.86
_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
  Nb  Nb0  1  0.01  0.0  0.18  1.0
  Nb  Nb1  1  0.1  0.0  0.23  1.0
  Te  Te3  1  0.93  0.0  0.01  1.0
  Ru  Ru2  1  1.0  0.0  0.6  1.0

data_Nb2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.93
_cell_length_c   5.06
_cell_angle_alpha   107.39
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TeRu
_chemical_formula_sum   'Nb2 Te1 Ru1'
_cell_volume   72.86
_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
  Nb  Nb0  1  0.0  0.18  0.01  1.0
  Nb  Nb1  1  0.0  0.23  0.1  1.0
  Te  Te2  1  0.0  0.01  0.93  1.0
  Ru  Ru3  1  0.0  0.6  1.0  1.0

Nb Nb Te Ru