data_[Mg2Zn4As2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.5799]
_cell_length_b [5.6121]
_cell_length_c [5.3247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MgZn2AsN4]
_chemical_formula_sum '[Mg2 Zn4 As2 N8]'
_cell_volume [196.6272]
_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  0.0000  0.8379  0.4949  1.0
  Zn  Zn1  4  0.2486  0.6693  0.0008  1.0
  As  As2  2  0.0000  0.1774  0.0003  1.0
  N  N3  4  0.2280  0.3259  0.8832  1.0
  N  N4  2  0.0000  0.1845  0.3449  1.0
  N  N5  2  0.0000  0.8651  0.8918  1.0
]