data_LaAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24
_cell_length_b   10.24
_cell_length_c   10.24
_cell_angle_alpha   16.26
_cell_angle_beta   16.26
_cell_angle_gamma   16.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgRu2
_chemical_formula_sum   'La1 Ag1 Ru2'
_cell_volume   73.33
_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  0.0  0.0  0.15  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.75  1.0
  Ru  Ru3  1  0.0  0.0  0.55  1.0

data_LaAgRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   2.9
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   99.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAgRu2
_chemical_formula_sum   'La2 Ag2 Ru4'
_cell_volume   146.66
_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  2  0.0  0.0  0.85  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.0  0.0  0.25  1.0
  Ru  Ru3  2  0.0  0.0  0.45  1.0

La Ag Ru Ru
La Ag Ru Ru 0 1 o o o 1 2 o o - 2 3 o o o 