data_[Co2Tc4Ni2]
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 [C2/m]
_cell_length_a [8.6997]
_cell_length_b [2.6362]
_cell_length_c [4.5574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoTc2Ni]
_chemical_formula_sum '[Co2 Tc4 Ni2]'
_cell_volume [102.9293]
_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  2  0.0000  0.0000  0.5000  1
  Tc  Tc1  4  0.2481  0.5000  0.7471  1
  Ni  Ni2  2  0.0000  0.5000  0.0000  1
]