data_La2VRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   4.93
_cell_angle_alpha   112.13
_cell_angle_beta   112.13
_cell_angle_gamma   31.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VRu
_chemical_formula_sum   'La2 V1 Ru1'
_cell_volume   98.11
_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  0.12  0.0  0.05  1.0
  La  La1  1  0.39  0.0  0.31  1.0
  V  V3  1  0.44  0.0  0.43  1.0
  Ru  Ru2  1  0.69  0.0  0.01  1.0

data_La2VRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.93
_cell_length_c   6.42
_cell_angle_alpha   112.13
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VRu
_chemical_formula_sum   'La2 V1 Ru1'
_cell_volume   98.11
_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  0.05  0.12  1.0
  La  La1  1  0.0  0.31  0.39  1.0
  V  V2  1  0.0  0.43  0.44  1.0
  Ru  Ru3  1  0.0  0.01  0.69  1.0

La La V Ru