data_[Zr8In12Mo16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6805]
_cell_length_b [5.5996]
_cell_length_c [14.1915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2In3Mo4N3]
_chemical_formula_sum '[Zr8 In12 Mo16 N12]'
_cell_volume [749.7492]
_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  0.0578  0.4133  0.9065  1
  In  In1  8  0.1902  0.3903  0.2474  1
  In  In2  4  0.0000  0.0356  0.7500  1
  Mo  Mo3  8  0.1088  0.0700  0.0739  1
  Mo  Mo4  8  0.2188  0.0912  0.4259  1
  N  N5  8  0.0791  0.2614  0.5002  1
  N  N6  4  0.2500  0.2500  0.0000  1
]