data_Ba2TcTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.21
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   92.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcTe
_chemical_formula_sum   'Ba2 Tc1 Te1'
_cell_volume   145.43
_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  0.91  0.1  0.14  1.0
  Ba  Ba1  1  0.93  0.1  0.06  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.81  0.0  0.1  1.0

data_Ba2TcTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.22
_cell_length_c   8.21
_cell_angle_alpha   92.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcTe
_chemical_formula_sum   'Ba2 Tc1 Te1'
_cell_volume   145.43
_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  0.9  0.07  0.94  1.0
  Ba  Ba1  1  0.9  0.09  0.86  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.19  0.9  1.0

Ba Ba Tc Te
Ba Ba Tc Te 0 3 o o o 0 1 o o o 1 3 o o o 1 2 + o o 