data_NaY2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Tc
_chemical_formula_sum   'Na1 Y2 Tc1'
_cell_volume   107.96
_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  0.0  0.33  1.0
  Y  Y2  1  0.0  0.0  0.26  1.0
  Y  Y3  1  0.66  0.66  0.36  1.0
  Tc  Tc1  1  0.66  0.66  0.51  1.0

data_NaY2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaY2Tc
_chemical_formula_sum   'Na2 Y4 Tc2'
_cell_volume   215.93
_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
  Na  Na0  2  0.0  0.0  0.33  1.0
  Y  Y1  2  0.0  0.0  0.26  1.0
  Y  Y2  2  0.16  0.5  0.36  1.0
  Tc  Tc3  2  0.16  0.5  0.51  1.0

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