data_[Mg2Zn10N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.6520]
_cell_length_b [7.3722]
_cell_length_c [4.9648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [MgZn5N4]
_chemical_formula_sum '[Mg2 Zn10 N8]'
_cell_volume [243.4747]
_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  0.5000  0.2754  1.0
  Zn  Zn1  8  0.2499  0.3168  0.7480  1.0
  Zn  Zn2  2  0.0000  0.0000  0.7365  1.0
  N  N3  4  0.0000  0.2507  0.4986  1.0
  N  N4  4  0.2488  0.5000  0.0377  1.0
]