data_BaZr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   147.95
_cell_angle_beta   122.74
_cell_angle_gamma   67.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZr2Tc
_chemical_formula_sum   'Ba1 Zr2 Tc1'
_cell_volume   105.06
_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
  Zr  Zr2  1  0.0  0.97  0.14  1.0
  Zr  Zr3  1  0.71  0.0  0.02  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0

data_BaZr2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.94
_cell_length_c   6.2
_cell_angle_alpha   118.63
_cell_angle_beta   106.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZr2Tc
_chemical_formula_sum   'Ba1 Zr2 Tc1'
_cell_volume   105.06
_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  0.17  0.17  1.0
  Zr  Zr1  1  0.0  0.02  0.31  1.0
  Zr  Zr2  1  0.03  0.17  0.17  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Ba Zr Zr Tc