data_Ta2InRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   147.09
_cell_angle_beta   128.85
_cell_angle_gamma   62.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InRu
_chemical_formula_sum   'Ta2 In1 Ru1'
_cell_volume   71.21
_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
  Ta  Ta2  1  0.57  0.0  0.12  1.0
  Ta  Ta3  1  0.0  0.0  0.24  1.0
  In  In0  1  0.57  0.0  0.62  1.0
  Ru  Ru1  1  0.0  0.0  0.26  1.0

data_Ta2InRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.78
_cell_length_c   5.54
_cell_angle_alpha   115.58
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InRu
_chemical_formula_sum   'Ta2 In1 Ru1'
_cell_volume   71.21
_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
  Ta  Ta0  1  0.0  0.12  0.55  1.0
  Ta  Ta1  1  0.0  0.24  0.24  1.0
  In  In2  1  0.0  0.62  0.05  1.0
  Ru  Ru3  1  0.0  0.26  0.26  1.0

Ta Ta In Ru
Ta Ta In Ru 0 3 + o o 0 1 + o o 0 2 o o o 0 2 o o - 1 3 o o o 1 2 o o o 1 2 - o - 2 3 o o o 2 3 + o + 