data_[Zr8Mn16Sn12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6688]
_cell_length_b [5.5163]
_cell_length_c [14.1188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Mn4(SnN)3]
_chemical_formula_sum '[Zr8 Mn16 Sn12 N12]'
_cell_volume [733.0158]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  8  0.0601  0.4127  0.9161  1
  Mn  Mn1  8  0.1090  0.0756  0.0813  1
  Mn  Mn2  8  0.2209  0.0886  0.4186  1
  Sn  Sn3  8  0.1812  0.4031  0.2488  1
  Sn  Sn4  4  0.0000  0.0518  0.7500  1
  N  N5  8  0.0829  0.2504  0.5003  1
  N  N6  4  0.2500  0.2500  0.0000  1
]