data_[Ti6Mn4Si6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1866]
_cell_length_b [11.3602]
_cell_length_c [6.6341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti3Mn2Si3Ru]
_chemical_formula_sum '[Ti6 Mn4 Si6 Ru2]'
_cell_volume [240.1590]
_cell_formula_units_Z [2]
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  4  0.5000  0.2050  0.2019  1
  Ti  Ti1  2  0.5000  0.0000  0.6058  1
  Mn  Mn2  4  0.0000  0.1291  0.8703  1
  Si  Si3  4  0.0000  0.1673  0.5018  1
  Si  Si4  2  0.5000  0.0000  0.9912  1
  Ru  Ru5  2  0.0000  0.0000  0.2551  1
]