data_[Mn4Si2C1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8522]
_cell_length_b [2.8522]
_cell_length_c [11.7673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Mn4Si2CN]
_chemical_formula_sum '[Mn4 Si2 C1 N1]'
_cell_volume [82.9046]
_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  0.3333  0.6667  0.0921  1
  Mn  Mn1  2  0.3333  0.6667  0.4079  1
  Si  Si2  2  0.3333  0.6667  0.7514  1
  C  C3  1  0.0000  0.0000  0.0000  1
  N  N4  1  0.0000  0.0000  0.5000  1
]