data_[Mn7N9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.1387]
_cell_length_b [9.1387]
_cell_length_c [15.0044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Mn7N9]
_chemical_formula_sum '[Mn7 N9]'
_cell_volume [1085.2218]
_cell_formula_units_Z [1]
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
[
  Mn  Mn0  6  0.1660  0.7312  0.0000  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  N  N2  6  0.1571  0.5359  0.0000  1
  N  N3  3  0.0000  0.7922  0.0000  1
]