data_[Mg4In2Sb2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.8976]
_cell_length_b [6.0078]
_cell_length_c [5.5483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mg2InSbN4]
_chemical_formula_sum '[Mg4 In2 Sb2 N8]'
_cell_volume [229.9192]
_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  0.2491  0.6672  0.9957  1.0
  In  In1  2  0.0000  0.8358  0.4967  1.0
  Sb  Sb2  2  0.0000  0.1698  0.0002  1.0
  N  N3  4  0.2360  0.3347  0.8773  1.0
  N  N4  2  0.0000  0.1785  0.3641  1.0
  N  N5  2  0.0000  0.8479  0.8930  1.0
]