data_BaMgTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.13
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgTc2
_chemical_formula_sum   'Ba1 Mg1 Tc2'
_cell_volume   95.45
_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  0.56  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.62  0.07  0.09  1.0
  Tc  Tc3  1  0.62  0.07  0.04  1.0

data_BaMgTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.13
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgTc2
_chemical_formula_sum   'Ba1 Mg1 Tc2'
_cell_volume   95.45
_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  0.56  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.62  0.07  0.04  1.0
  Tc  Tc3  1  0.62  0.07  0.09  1.0

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