data_[Mg1P1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1369]
_cell_length_b [2.8678]
_cell_length_c [4.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgPN2]
_chemical_formula_sum '[Mg1 P1 N2]'
_cell_volume [44.3587]
_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
[
  Mg  Mg0  1  0.1414  0.0000  0.6581  1
  P  P1  1  0.5581  0.5000  0.2194  1
  N  N2  1  0.3015  0.0000  0.0926  1
  N  N3  1  0.6269  0.5000  0.5488  1
]