data_BaTc2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.95
_cell_angle_alpha   104.29
_cell_angle_beta   104.29
_cell_angle_gamma   44.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2Au
_chemical_formula_sum   'Ba1 Tc2 Au1'
_cell_volume   104.87
_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
  Ba  Ba1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.19  0.0  0.39  1.0
  Tc  Tc3  1  0.7  0.0  0.34  1.0
  Au  Au0  1  0.94  0.0  0.87  1.0

data_BaTc2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   5.11
_cell_length_c   5.95
_cell_angle_alpha   104.29
_cell_angle_beta   90.0
_cell_angle_gamma   112.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2Au
_chemical_formula_sum   'Ba1 Tc2 Au1'
_cell_volume   104.87
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.3  0.66  1.0
  Tc  Tc2  1  0.0  0.81  0.61  1.0
  Au  Au3  1  0.0  0.06  0.13  1.0

Ba Tc Tc Au