data_NaCaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.39
_cell_length_c   2.91
_cell_angle_alpha   81.76
_cell_angle_beta   78.38
_cell_angle_gamma   19.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaTc
_chemical_formula_sum   'Na1 Ca1 Tc1'
_cell_volume   68.11
_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  0.87  0.23  0.19  1.0
  Ca  Ca0  1  0.87  0.23  0.97  1.0
  Tc  Tc2  1  0.87  0.23  0.54  1.0

data_NaCaTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.74
_cell_length_b   16.35
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   130.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCaTc
_chemical_formula_sum   'Na2 Ca2 Tc2'
_cell_volume   136.23
_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  0.37  0.5  0.06  1.0
  Ca  Ca1  2  0.37  0.5  0.84  1.0
  Tc  Tc2  2  0.37  0.5  0.41  1.0

Na Ca Tc
Na Ca Tc 0 1 o o - 0 2 o o o 1 2 o o o 