data_[Ba5Co5Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.8037]
_cell_length_b [5.8037]
_cell_length_c [10.6407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba5Co5Sn]
_chemical_formula_sum '[Ba5 Co5 Sn1]'
_cell_volume [310.3896]
_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  0.3375  1
  Ba  Ba1  2  0.6667  0.3333  0.2063  1
  Ba  Ba2  1  0.3333  0.6667  0.0000  1
  Co  Co3  3  0.5288  0.0576  0.5000  1
  Co  Co4  2  0.3333  0.6667  0.3822  1
  Sn  Sn5  1  0.0000  0.0000  0.0000  1
]