data_[Mg2Zn4P2N8]
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
  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 [6.4268]
_cell_length_b [5.4741]
_cell_length_c [5.1623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MgZn2PN4]
_chemical_formula_sum '[Mg2 Zn4 P2 N8]'
_cell_volume [181.6155]
_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  0.8469  0.4924  1
  Zn  Zn1  4  0.2461  0.6715  0.9993  1
  P  P2  2  0.0000  0.1810  0.0007  1
  N  N3  4  0.2132  0.3161  0.8930  1
  N  N4  2  0.0000  0.1927  0.3201  1
  N  N5  2  0.0000  0.8914  0.9021  1
]