data_[Co34Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2878]
_cell_length_b [4.9452]
_cell_length_c [30.9839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Co17Sb]
_chemical_formula_sum '[Co34 Sb2]'
_cell_volume [656.9860]
_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  4  0.1647  0.5045  0.2407  1
  Co  Co1  4  0.1666  0.5000  0.4348  1
  Co  Co2  4  0.1670  0.0000  0.6300  1
  Co  Co3  4  0.4979  0.5008  0.6958  1
  Co  Co4  2  -0.0000  0.2500  0.6957  1
  Co  Co5  2  0.0006  0.7500  0.5002  1
  Co  Co6  2  0.0027  0.2500  0.3048  1
  Co  Co7  2  0.3309  0.2500  0.3697  1
  Co  Co8  2  0.3334  0.2500  0.5651  1
  Co  Co9  2  0.3336  0.7500  0.5650  1
  Co  Co10  2  0.3344  0.2500  0.7595  1
  Co  Co11  2  0.3346  0.7500  0.3689  1
  Co  Co12  2  0.5000  0.0000  0.5000  1
  Sb  Sb13  2  0.3358  0.7500  0.7852  1
]