data_NaCr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.33
_cell_angle_alpha   98.07
_cell_angle_beta   98.07
_cell_angle_gamma   29.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Tc
_chemical_formula_sum   'Na1 Cr2 Tc1'
_cell_volume   59.23
_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  0.3  0.0  0.68  1.0
  Cr  Cr0  1  0.17  0.0  0.02  1.0
  Cr  Cr1  1  0.94  0.0  0.07  1.0
  Tc  Tc3  1  0.66  0.0  0.13  1.0

data_NaCr2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   4.8
_cell_length_c   5.33
_cell_angle_alpha   98.07
_cell_angle_beta   90.0
_cell_angle_gamma   104.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Tc
_chemical_formula_sum   'Na1 Cr2 Tc1'
_cell_volume   59.23
_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  0.7  0.32  1.0
  Cr  Cr1  1  0.0  0.06  0.93  1.0
  Cr  Cr2  1  0.0  0.83  0.98  1.0
  Tc  Tc3  1  0.0  0.34  0.87  1.0

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