data_[Mn3N4]
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 [Pmm2]
_cell_length_a [2.8402]
_cell_length_b [19.3138]
_cell_length_c [5.4804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mn3N4]
_chemical_formula_sum '[Mn3 N4]'
_cell_volume [300.6313]
_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  2  0.0000  0.4360  0.3683  1
  Mn  Mn1  1  0.5000  0.5000  0.8561  1
  N  N2  2  0.5000  0.3883  0.4206  1
  N  N3  1  0.0000  0.5000  0.6302  1
  N  N4  1  0.5000  0.5000  0.1892  1
]