data_BaSrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44
_cell_length_b   10.44
_cell_length_c   10.44
_cell_angle_alpha   18.39
_cell_angle_beta   18.39
_cell_angle_gamma   18.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrTc2
_chemical_formula_sum   'Ba1 Sr1 Tc2'
_cell_volume   99.04
_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  0.4  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.73  1.0
  Tc  Tc3  1  0.0  0.0  0.06  1.0

data_BaSrTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   3.34
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   100.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSrTc2
_chemical_formula_sum   'Ba2 Sr2 Tc4'
_cell_volume   198.08
_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  0.6  1.0
  Sr  Sr1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.27  1.0
  Tc  Tc3  2  0.0  0.0  0.94  1.0

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