data_La2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   123.16
_cell_angle_beta   123.16
_cell_angle_gamma   84.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AsRu
_chemical_formula_sum   'La2 As1 Ru1'
_cell_volume   97.32
_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  0.5  0.0  0.94  1.0
  La  La2  1  0.0  0.5  0.94  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.89  1.0

data_La2AsRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   132.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2AsRu
_chemical_formula_sum   'La4 As2 Ru2'
_cell_volume   194.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.31  0.25  0.56  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.11  0.0  0.11  1.0

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