data_[Co4Tc12P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1766]
_cell_length_b [3.6433]
_cell_length_c [9.9839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Co(TcP)3]
_chemical_formula_sum '[Co4 Tc12 P12]'
_cell_volume [370.1662]
_cell_formula_units_Z [4]
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  0.0526  0.2500  0.8332  1
  Tc  Tc1  4  0.0487  0.2500  0.3857  1
  Tc  Tc2  4  0.1819  0.7500  0.0071  1
  Tc  Tc3  4  0.2259  0.7500  0.7260  1
  P  P4  4  0.0640  0.2500  0.1346  1
  P  P5  4  0.1117  0.2500  0.6147  1
  P  P6  4  0.2247  0.7500  0.3756  1
]