data_[Co2Tc2Au4]
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 [9.2302]
_cell_length_b [2.7390]
_cell_length_c [4.9602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoTcAu2]
_chemical_formula_sum '[Co2 Tc2 Au4]'
_cell_volume [123.3286]
_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  0.0079  0.5000  0.5233  1
  Tc  Tc1  2  0.2375  0.0000  0.7285  1
  Au  Au2  2  0.2589  0.5000  0.2577  1
  Au  Au3  2  0.4956  0.5000  0.9905  1
]