data_Ba2GaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   8.84
_cell_angle_alpha   103.09
_cell_angle_beta   103.09
_cell_angle_gamma   59.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaTc
_chemical_formula_sum   'Ba2 Ga1 Tc1'
_cell_volume   145.98
_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  0.11  0.0  1.0  1.0
  Ba  Ba1  1  0.09  0.0  0.4  1.0
  Ga  Ga2  1  0.67  0.0  0.2  1.0
  Tc  Tc3  1  0.24  0.0  0.2  1.0

data_Ba2GaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.45
_cell_length_c   8.84
_cell_angle_alpha   103.09
_cell_angle_beta   90.0
_cell_angle_gamma   119.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaTc
_chemical_formula_sum   'Ba2 Ga1 Tc1'
_cell_volume   145.98
_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  0.89  0.0  1.0
  Ba  Ba1  1  0.0  0.91  0.6  1.0
  Ga  Ga2  1  0.0  0.33  0.8  1.0
  Tc  Tc3  1  0.0  0.76  0.8  1.0

Ba Ba Ga Tc
Ba Ba Ga Tc 0 3 o o + 1 2 - o o 1 3 o o o 2 3 o o o 