data_[Co34Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9390]
_cell_length_b [4.9390]
_cell_length_c [30.8183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Co17Sn]
_chemical_formula_sum '[Co34 Sn2]'
_cell_volume [651.0487]
_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
[
  Co  Co0  6  0.0031  0.5016  0.1969  1
  Co  Co1  6  0.1662  0.3325  0.7403  1
  Co  Co2  6  0.1670  0.3339  0.1302  1
  Co  Co3  6  0.1671  0.3342  0.9344  1
  Co  Co4  3  0.0000  0.5000  0.0000  1
  Co  Co5  2  0.0000  0.0000  0.1952  1
  Co  Co6  2  0.3333  0.6667  0.8673  1
  Co  Co7  2  0.3333  0.6667  0.0646  1
  Co  Co8  1  0.0000  0.0000  0.0000  1
  Sn  Sn9  2  0.3333  0.6667  0.2877  1
]