data_[Ca2Pa2Tc2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pa  1.5000  1.8000  1.0400
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5077]
_cell_length_b [3.3686]
_cell_length_c [7.5540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaPaTcN3]
_chemical_formula_sum '[Ca2 Pa2 Tc2 N6]'
_cell_volume [189.2949]
_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
[
  Ca  Ca0  2  0.1903  0.7500  0.1705  1
  Pa  Pa1  2  0.1736  0.7500  0.6411  1
  Tc  Tc2  2  0.4144  0.2500  0.9024  1
  N  N3  2  0.1251  0.2500  0.4312  1
  N  N4  2  0.1417  0.2500  0.8497  1
  N  N5  2  0.4433  0.2500  0.1831  1
]