data_LaAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   148.21
_cell_angle_beta   131.1
_cell_angle_gamma   59.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgRu2
_chemical_formula_sum   'La1 Ag1 Ru2'
_cell_volume   76.54
_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  0.59  0.0  0.4  1.0
  Ag  Ag0  1  0.0  0.0  0.23  1.0
  Ru  Ru2  1  0.0  0.0  0.81  1.0
  Ru  Ru3  1  0.0  0.4  0.69  1.0

data_LaAgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.8
_cell_length_c   5.79
_cell_angle_alpha   114.45
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgRu2
_chemical_formula_sum   'La1 Ag1 Ru2'
_cell_volume   76.54
_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  0.4  0.81  1.0
  Ag  Ag1  1  0.0  0.23  0.23  1.0
  Ru  Ru2  1  0.0  0.81  0.81  1.0
  Ru  Ru3  1  0.6  0.29  0.29  1.0

La Ag Ru Ru