data_NaTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.24
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   95.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2P
_chemical_formula_sum   'Na1 Tc2 P1'
_cell_volume   59.87
_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  Tc2  1  0.6  0.12  0.73  1.0
  Tc  Tc3  1  0.75  0.12  0.32  1.0
  P  P1  1  0.17  0.0  0.52  1.0

data_NaTc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.24
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   95.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2P
_chemical_formula_sum   'Na1 Tc2 P1'
_cell_volume   59.87
_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  0.6  0.12  0.73  1.0
  Tc  Tc2  1  0.75  0.12  0.32  1.0
  P  P3  1  0.17  0.0  0.52  1.0

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