data_[Mg10Cu2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.5509]
_cell_length_b [7.1994]
_cell_length_c [5.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Mg5CuN4]
_chemical_formula_sum '[Mg10 Cu2 N8]'
_cell_volume [247.3941]
_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  8  0.2445  0.1995  0.2513  1
  Mg  Mg1  2  0.0000  0.0000  0.7160  1
  Cu  Cu2  2  0.0000  0.5000  0.2783  1
  N  N3  4  0.0000  0.2462  0.5083  1
  N  N4  4  0.2485  0.5000  0.0408  1
]