data_Na2TcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   5.11
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   103.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcAs
_chemical_formula_sum   'Na2 Tc1 As1'
_cell_volume   73.15
_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  0.6  0.55  0.63  1.0
  Na  Na2  1  0.15  0.55  0.23  1.0
  Tc  Tc3  1  0.4  0.0  0.43  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Na2TcAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.01
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcAs
_chemical_formula_sum   'Na2 Tc1 As1'
_cell_volume   73.15
_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  0.4  0.37  0.45  1.0
  Na  Na1  1  0.85  0.77  0.45  1.0
  Tc  Tc2  1  0.6  0.57  0.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Na Na Tc As
Na Na Tc As 0 2 o + o 0 1 o o o 1 3 o + o 1 2 o + o 2 3 o o o 