data_NaTc2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.72
_cell_angle_alpha   103.97
_cell_angle_beta   103.97
_cell_angle_gamma   118.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2As
_chemical_formula_sum   'Na1 Tc2 As1'
_cell_volume   63.63
_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  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.76  0.37  0.2  1.0
  Tc  Tc3  1  0.76  0.63  0.2  1.0
  As  As0  1  0.81  0.0  0.0  1.0

data_NaTc2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.95
_cell_length_c   5.5
_cell_angle_alpha   116.52
_cell_angle_beta   103.97
_cell_angle_gamma   90.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2As
_chemical_formula_sum   'Na1 Tc2 As1'
_cell_volume   63.63
_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  0.0  1.0
  Tc  Tc1  1  0.56  0.37  0.13  1.0
  Tc  Tc2  1  0.83  0.63  0.39  1.0
  As  As3  1  0.0  0.0  0.81  1.0

Na Tc Tc As