data_[Co20Tc4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.4089]
_cell_length_b [8.2861]
_cell_length_c [8.9356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Co5TcNi]
_chemical_formula_sum '[Co20 Tc4 Ni4]'
_cell_volume [318.7809]
_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  0.0442  0.6262  0.4326  1
  Co  Co1  4  0.0958  0.1325  0.3616  1
  Co  Co2  4  0.1817  0.6097  0.7133  1
  Co  Co3  4  0.3337  0.6235  0.9937  1
  Co  Co4  4  0.3832  0.1181  0.9255  1
  Tc  Tc5  4  0.4734  0.6339  0.2870  1
  Ni  Ni6  4  0.2304  0.1134  0.6402  1
]