data_[Mg2Pa2Co2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6332]
_cell_length_b [3.2207]
_cell_length_c [7.1834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgPaCoN3]
_chemical_formula_sum '[Mg2 Pa2 Co2 N6]'
_cell_volume [150.3050]
_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
[
  Mg  Mg0  2  0.3504  0.2500  0.8512  1
  Pa  Pa1  2  0.1855  0.7500  0.2042  1
  Co  Co2  2  0.1091  0.7500  0.5903  1
  N  N3  2  0.0961  0.7500  0.8667  1
  N  N4  2  0.1859  0.2500  0.4849  1
  N  N5  2  0.4094  0.2500  0.1584  1
]