data_BaTcSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   21.81
_cell_angle_beta   21.81
_cell_angle_gamma   21.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcSn2
_chemical_formula_sum   'Ba1 Tc1 Sn2'
_cell_volume   108.09
_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  0.1  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.59  1.0
  Sn  Sn2  1  0.0  0.0  0.6  1.0

data_BaTcSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.31
_cell_length_b   3.64
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   102.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTcSn2
_chemical_formula_sum   'Ba2 Tc2 Sn4'
_cell_volume   216.17
_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  0.9  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.4  1.0
  Sn  Sn3  2  0.0  0.0  0.41  1.0

Ba Tc Sn Sn
Ba Tc Sn Sn 0 1 o o o 2 3 o o o 