data_[Ti8Mn2Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.0362]
_cell_length_b [10.4463]
_cell_length_c [3.0743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ti4MnSn2]
_chemical_formula_sum '[Ti8 Mn2 Sn4]'
_cell_volume [258.0866]
_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  0.1276  0.6843  0.0000  1
  Ti  Ti1  4  0.2052  0.4087  0.5000  1
  Mn  Mn2  2  0.0000  0.5000  0.0000  1
  Sn  Sn3  4  0.0717  0.1370  0.5000  1
]