data_[Co4Tc12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.2413]
_cell_length_b [8.2004]
_cell_length_c [5.1012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CoTc3]
_chemical_formula_sum '[Co4 Tc12]'
_cell_volume [219.2557]
_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  0.0758  0.7500  0.5453  1
  Tc  Tc1  8  0.1773  0.0210  0.2893  1
  Tc  Tc2  4  0.0373  0.7500  0.0595  1
]