data_[Mg4Ga2P2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.1945]
_cell_length_b [5.6783]
_cell_length_c [5.1245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mg2GaPN4]
_chemical_formula_sum '[Mg4 Ga2 P2 N8]'
_cell_volume [180.2504]
_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  4  0.2479  0.6714  0.9931  1.0
  Ga  Ga1  2  0.0000  0.8548  0.4994  1.0
  P  P2  2  0.0000  0.1647  0.0019  1.0
  N  N3  4  0.2217  0.3133  0.9034  1.0
  N  N4  2  0.0000  0.1556  0.3242  1.0
  N  N5  2  0.0000  0.8932  0.8815  1.0
]