data_BaIn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   3.29
_cell_angle_alpha   96.1
_cell_angle_beta   96.1
_cell_angle_gamma   120.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Ru
_chemical_formula_sum   'Ba1 In2 Ru1'
_cell_volume   103.18
_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
  Ba  Ba0  1  0.03  0.0  0.0  1.0
  In  In1  1  0.17  0.36  0.61  1.0
  In  In2  1  0.17  0.64  0.61  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_BaIn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   6.07
_cell_length_c   6.09
_cell_angle_alpha   60.12
_cell_angle_beta   83.9
_cell_angle_gamma   77.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Ru
_chemical_formula_sum   'Ba1 In2 Ru1'
_cell_volume   103.18
_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
  Ba  Ba0  1  0.0  0.0  0.03  1.0
  In  In1  1  0.39  0.64  0.52  1.0
  In  In2  1  0.39  0.36  0.81  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ba In In Ru