data_LaAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   137.88
_cell_angle_beta   137.88
_cell_angle_gamma   61.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAsRu2
_chemical_formula_sum   'La1 As1 Ru2'
_cell_volume   72.84
_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  La1  1  0.97  0.0  0.36  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.71  1.0
  Ru  Ru3  1  0.0  0.97  0.36  1.0

data_LaAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.47
_cell_angle_alpha   111.06
_cell_angle_beta   111.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAsRu2
_chemical_formula_sum   'La1 As1 Ru2'
_cell_volume   72.84
_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  0.36  0.39  0.39  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.39  0.36  0.39  1.0
  Ru  Ru3  1  0.71  0.71  0.71  1.0

La As Ru Ru
La As Ru Ru 0 3 + - o 0 2 + o o 1 2 o o - 2 3 o - o 