data_LaB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.79
_cell_angle_alpha   97.44
_cell_angle_beta   97.44
_cell_angle_gamma   51.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaB2Ru
_chemical_formula_sum   'La1 B2 Ru1'
_cell_volume   64.25
_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  La2  1  0.17  0.0  0.49  1.0
  B  B0  1  0.3  0.0  0.26  1.0
  B  B1  1  0.01  0.0  0.1  1.0
  Ru  Ru3  1  0.74  0.0  0.26  1.0

data_LaB2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.16
_cell_length_c   4.79
_cell_angle_alpha   97.44
_cell_angle_beta   90.0
_cell_angle_gamma   115.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaB2Ru
_chemical_formula_sum   'La1 B2 Ru1'
_cell_volume   64.25
_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  0.83  0.51  1.0
  B  B1  1  0.0  0.7  0.74  1.0
  B  B2  1  0.0  0.99  0.9  1.0
  Ru  Ru3  1  0.0  0.26  0.74  1.0

La B B Ru