data_Ba2TcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcMo
_chemical_formula_sum   'Ba2 Tc1 Mo1'
_cell_volume   118.74
_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  0.8  0.72  0.81  1.0
  Ba  Ba1  1  0.8  0.28  0.81  1.0
  Tc  Tc3  1  0.61  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Ba2TcMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   103.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcMo
_chemical_formula_sum   'Ba2 Tc1 Mo1'
_cell_volume   118.74
_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  0.81  0.8  0.28  1.0
  Ba  Ba1  1  0.81  0.8  0.72  1.0
  Tc  Tc2  1  -0.0  0.61  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ba Ba Tc Mo