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 [P1]
_cell_length_a [4.1429]
_cell_length_b [5.6987]
_cell_length_c [6.4373]
_cell_angle_alpha [112.9623]
_cell_angle_beta [101.8277]
_cell_angle_gamma [91.4735]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TcTeAu]
_chemical_formula_sum '[Tc2 Te2 Au2]'
_cell_volume [136.0191]
_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  1  0.0223  0.5963  0.0013  1
  Tc  Tc1  1  0.4317  0.6972  0.8465  1
  Te  Te2  1  0.2834  0.5083  0.3794  1
  Te  Te3  1  0.7926  0.0164  0.2534  1
  Au  Au4  1  0.4716  0.2186  0.8481  1
  Au  Au5  1  0.8789  0.8706  0.6303  1
]