data_[Ba5Mn5Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.9161]
_cell_length_b [5.9161]
_cell_length_c [11.4623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba5Mn5Sn]
_chemical_formula_sum '[Ba5 Mn5 Sn1]'
_cell_volume [347.4369]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.3284  1
  Ba  Ba1  2  0.6667  0.3333  0.1878  1
  Ba  Ba2  1  0.3333  0.6667  0.0000  1
  Mn  Mn3  3  0.0364  0.5182  0.5000  1
  Mn  Mn4  2  0.3333  0.6667  0.3173  1
  Sn  Sn5  1  0.0000  0.0000  0.0000  1
]