data_Ba2ZnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19
_cell_length_b   10.19
_cell_length_c   10.19
_cell_angle_alpha   21.79
_cell_angle_beta   21.79
_cell_angle_gamma   21.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnTc
_chemical_formula_sum   'Ba2 Zn1 Tc1'
_cell_volume   127.56
_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  0.17  1.0
  Ba  Ba1  1  0.0  0.0  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.91  1.0

data_Ba2ZnTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.67
_cell_length_b   3.85
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   102.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2ZnTc
_chemical_formula_sum   'Ba4 Zn2 Tc2'
_cell_volume   255.13
_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  0.83  1.0
  Ba  Ba1  2  0.0  0.0  0.35  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.09  1.0

Ba Ba Zn Tc