data_BaTaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.22
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   95.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaTc2
_chemical_formula_sum   'Ba1 Ta1 Tc2'
_cell_volume   90.69
_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
  Ta  Ta1  1  0.21  0.0  0.5  1.0
  Tc  Tc2  1  0.19  0.11  0.62  1.0
  Tc  Tc3  1  0.23  0.11  0.39  1.0

data_BaTaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.22
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   95.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaTc2
_chemical_formula_sum   'Ba1 Ta1 Tc2'
_cell_volume   90.69
_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
  Ta  Ta1  1  0.21  0.0  0.5  1.0
  Tc  Tc2  1  0.19  0.11  0.62  1.0
  Tc  Tc3  1  0.23  0.11  0.39  1.0

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