data_SrLa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.89
_cell_angle_alpha   120.59
_cell_angle_beta   120.59
_cell_angle_gamma   34.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Ru
_chemical_formula_sum   'Sr1 La2 Ru1'
_cell_volume   146.25
_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
  Sr  Sr3  1  0.71  0.0  0.34  1.0
  La  La0  1  0.87  0.0  0.54  1.0
  La  La1  1  0.3  0.0  0.22  1.0
  Ru  Ru2  1  0.75  0.0  0.64  1.0

data_SrLa2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   6.67
_cell_length_c   6.72
_cell_angle_alpha   61.87
_cell_angle_beta   72.99
_cell_angle_gamma   72.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Ru
_chemical_formula_sum   'Sr1 La2 Ru1'
_cell_volume   146.25
_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
  Sr  Sr0  1  0.0  0.37  0.34  1.0
  La  La1  1  0.0  0.09  0.22  1.0
  La  La2  1  0.0  0.33  0.54  1.0
  Ru  Ru3  1  0.0  0.11  0.64  1.0

Sr La La Ru