data_[Zn4Cr4Sn4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7675]
_cell_length_b [7.7723]
_cell_length_c [11.0778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ZnCrSnSe4]
_chemical_formula_sum '[Zn4 Cr4 Sn4 Se16]'
_cell_volume [668.7847]
_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
[
  Zn  Zn0  4  0.0000  0.2500  0.3727  1.0
  Cr  Cr1  4  0.2500  0.2500  0.7500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.0000  0.0275  0.7491  1.0
  Se  Se4  8  0.2446  0.7500  0.4787  1.0
]