data_[Tc2Te2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3676]
_cell_length_b [3.9650]
_cell_length_c [5.9564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TcTeAu]
_chemical_formula_sum '[Tc2 Te2 Au2]'
_cell_volume [126.6792]
_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
[
  Tc  Tc0  2  0.3591  0.2500  0.9727  1
  Te  Te1  2  0.1239  0.7500  0.2166  1
  Au  Au2  2  0.3629  0.7500  0.6316  1
]