data_LiAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   146.82
_cell_angle_beta   128.46
_cell_angle_gamma   62.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAsRu2
_chemical_formula_sum   'Li1 As1 Ru2'
_cell_volume   57.9
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.4  1.0
  Ru  Ru2  1  0.0  0.24  0.9  1.0
  Ru  Ru3  1  0.47  0.0  0.49  1.0

data_LiAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.48
_cell_length_c   5.15
_cell_angle_alpha   115.77
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAsRu2
_chemical_formula_sum   'Li1 As1 Ru2'
_cell_volume   57.9
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.4  0.4  1.0
  Ru  Ru2  1  0.0  0.49  0.02  1.0
  Ru  Ru3  1  0.76  0.66  0.66  1.0

Li As Ru Ru