data_[Ti4In5Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5157]
_cell_length_b [3.0739]
_cell_length_c [9.2232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ti4In5Ru2]
_chemical_formula_sum '[Ti4 In5 Ru2]'
_cell_volume [212.4676]
_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
[
  Ti  Ti0  2  0.1964  0.5000  0.4349  1.0
  Ti  Ti1  2  0.1965  0.5000  0.8477  1.0
  In  In2  2  0.1488  0.0000  0.1347  1.0
  In  In3  2  0.4692  0.0000  0.6642  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Ru  Ru5  2  0.0868  0.0000  0.6413  1.0
]