data_[Co2Tc4Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9980]
_cell_length_b [2.7157]
_cell_length_c [4.8271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoTc2Au]
_chemical_formula_sum '[Co2 Tc4 Au2]'
_cell_volume [116.1782]
_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  0.2419  0.5000  0.2301  1
  Tc  Tc1  2  0.0088  0.0000  0.9987  1
  Tc  Tc2  2  0.2530  0.0000  0.7836  1
  Au  Au3  2  0.4962  0.0000  0.4876  1
]