data_CrTcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcAu2
_chemical_formula_sum   'Cr1 Tc1 Au2'
_cell_volume   65.01
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.82  0.0  0.0  1.0
  Au  Au0  1  0.41  0.97  0.42  1.0
  Au  Au1  1  0.41  0.03  0.42  1.0

data_CrTcAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   110.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcAu2
_chemical_formula_sum   'Cr1 Tc1 Au2'
_cell_volume   65.01
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  -0.0  0.82  0.0  1.0
  Au  Au2  1  0.42  0.41  0.03  1.0
  Au  Au3  1  0.42  0.41  0.97  1.0

Cr Tc Au Au