data_NaBe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.7
_cell_angle_alpha   104.99
_cell_angle_beta   104.99
_cell_angle_gamma   30.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Tc
_chemical_formula_sum   'Na1 Be2 Tc1'
_cell_volume   51.87
_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  Na2  1  0.89  0.0  0.06  1.0
  Be  Be0  1  0.98  0.0  0.36  1.0
  Be  Be1  1  0.32  0.0  0.13  1.0
  Tc  Tc3  1  0.52  0.0  0.78  1.0

data_NaBe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   4.7
_cell_length_c   4.78
_cell_angle_alpha   104.99
_cell_angle_beta   105.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Tc
_chemical_formula_sum   'Na1 Be2 Tc1'
_cell_volume   51.87
_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  0.0  0.06  0.89  1.0
  Be  Be1  1  0.0  0.13  0.32  1.0
  Be  Be2  1  0.0  0.36  0.98  1.0
  Tc  Tc3  1  0.0  0.78  0.52  1.0

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