data_CoTcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   133.91
_cell_angle_beta   132.64
_cell_angle_gamma   68.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcAu2
_chemical_formula_sum   'Co1 Tc1 Au2'
_cell_volume   62.35
_cell_formula_units_Z   1
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  Co2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.08  1.0
  Au  Au0  1  0.93  0.0  0.03  1.0
  Au  Au1  1  0.0  0.98  0.05  1.0

data_CoTcAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.96
_cell_length_c   4.93
_cell_angle_alpha   113.68
_cell_angle_beta   113.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcAu2
_chemical_formula_sum   'Co1 Tc1 Au2'
_cell_volume   62.35
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.92  0.92  0.92  1.0
  Au  Au2  1  0.9  0.97  0.9  1.0
  Au  Au3  1  0.95  0.93  0.93  1.0

Co Tc Au Au
Co Tc Au Au 0 3 o - o 0 1 o o o 1 3 o - o 1 2 - o o 2 3 + - o 