data_BaTcSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   147.87
_cell_angle_beta   147.87
_cell_angle_gamma   46.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcSn
_chemical_formula_sum   'Ba1 Tc1 Sn1'
_cell_volume   81.61
_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  0.03  1.0
  Tc  Tc2  1  0.0  0.0  0.68  1.0
  Sn  Sn1  1  0.0  0.0  0.46  1.0

data_BaTcSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   113.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTcSn
_chemical_formula_sum   'Ba2 Tc2 Sn2'
_cell_volume   163.22
_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  0.97  1.0
  Tc  Tc1  2  0.0  0.0  0.32  1.0
  Sn  Sn2  2  0.0  0.0  0.54  1.0

Ba Tc Sn
Ba Tc Sn 0 1 o o - 0 2 o o o 1 2 o o o 