data_BaGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   9.97
_cell_angle_alpha   17.51
_cell_angle_beta   17.51
_cell_angle_gamma   17.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaTc2
_chemical_formula_sum   'Ba1 Ga1 Tc2'
_cell_volume   78.39
_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  0.73  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.84  1.0
  Tc  Tc3  1  0.0  0.0  0.61  1.0

data_BaGaTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaGaTc2
_chemical_formula_sum   'Ba2 Ga2 Tc4'
_cell_volume   156.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.16  1.0
  Tc  Tc3  2  0.0  0.0  0.39  1.0

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