data_La2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   39.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TeRu
_chemical_formula_sum   'La2 Te1 Ru1'
_cell_volume   117.21
_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
  La  La0  1  0.0  0.0  0.86  1.0
  La  La1  1  0.34  0.0  0.37  1.0
  Te  Te3  1  0.34  0.0  0.05  1.0
  Ru  Ru2  1  0.0  0.0  0.41  1.0

data_La2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.67
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TeRu
_chemical_formula_sum   'La2 Te1 Ru1'
_cell_volume   117.21
_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
  La  La0  1  0.14  0.0  0.14  1.0
  La  La1  1  0.63  0.34  0.63  1.0
  Te  Te2  1  0.95  0.34  0.95  1.0
  Ru  Ru3  1  0.59  0.0  0.59  1.0

La La Te Ru