data_[Zr2Nb4Sn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2523]
_cell_length_b [11.0532]
_cell_length_c [8.4589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrNb2(SnSe3)2]
_chemical_formula_sum '[Zr2 Nb4 Sn4 Se12]'
_cell_volume [566.1031]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.5000  1
  Nb  Nb1  4  0.0000  0.1324  0.5000  1
  Sn  Sn2  4  0.0000  0.2115  0.0000  1
  Se  Se3  8  0.1071  0.3239  0.3143  1
  Se  Se4  4  0.0998  0.0000  0.2744  1
]