data_NaBeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   4.07
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeTc2
_chemical_formula_sum   'Na1 Be1 Tc2'
_cell_volume   67.7
_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
  Na  Na1  1  0.39  0.04  0.72  1.0
  Be  Be0  1  0.01  0.0  0.66  1.0
  Tc  Tc2  1  0.2  0.0  0.5  1.0
  Tc  Tc3  1  0.87  0.04  0.68  1.0

data_NaBeTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.07
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeTc2
_chemical_formula_sum   'Na1 Be1 Tc2'
_cell_volume   67.7
_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
  Na  Na0  1  0.39  0.04  0.72  1.0
  Be  Be1  1  0.01  0.0  0.66  1.0
  Tc  Tc2  1  0.2  0.0  0.5  1.0
  Tc  Tc3  1  0.87  0.04  0.68  1.0

Na Be Tc Tc
Na Be Tc Tc 0 1 o o o 0 2 o o o 1 3 - o o 1 2 o o o 