data_[Mn12Ga6C4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9848]
_cell_length_b [8.6339]
_cell_length_c [6.4599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn6Ga3C2N]
_chemical_formula_sum '[Mn12 Ga6 C4 N2]'
_cell_volume [268.5568]
_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
[
  Mn  Mn0  8  0.2220  0.1658  0.1671  1.0
  Mn  Mn1  4  0.2246  0.5000  0.1675  1.0
  Ga  Ga2  4  0.0000  0.1682  0.5000  1.0
  Ga  Ga3  2  0.0000  0.5000  0.5000  1.0
  C  C4  4  0.0000  0.3334  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]