data_[Na2Tc2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.0467]
_cell_length_b [4.3729]
_cell_length_c [10.1619]
_cell_angle_alpha [83.4602]
_cell_angle_beta [88.3549]
_cell_angle_gamma [69.6420]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaTcP]
_chemical_formula_sum '[Na2 Tc2 P2]'
_cell_volume [126.0956]
_cell_formula_units_Z [2]
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  0.0451  0.6261  0.9117  1
  Na  Na1  1  0.6780  0.2270  0.5943  1
  Tc  Tc2  1  0.0827  0.4694  0.3325  1
  Tc  Tc3  1  0.3752  0.9188  0.1526  1
  P  P4  1  0.3748  0.8756  0.3854  1
  P  P5  1  0.6593  0.3525  0.1464  1
]