data_[Ti12Mn2Tc10]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3784]
_cell_length_b [6.1981]
_cell_length_c [13.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6MnTc5]
_chemical_formula_sum '[Ti12 Mn2 Tc10]'
_cell_volume [357.2930]
_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  8  0.0000  0.2527  0.8317  1
  Ti  Ti1  4  0.0000  0.2455  0.5000  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  Tc  Tc3  4  0.0000  0.0000  0.3324  1
  Tc  Tc4  4  0.0000  0.5000  0.3383  1
  Tc  Tc5  2  0.0000  0.5000  0.0000  1
]