data_[Zn4Cr2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2341]
_cell_length_b [2.7072]
_cell_length_c [4.7602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2CrSi]
_chemical_formula_sum '[Zn4 Cr2 Si2]'
_cell_volume [107.4713]
_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
[
  Zn  Zn0  2  0.2571  0.5000  0.1805  1
  Zn  Zn1  2  0.4975  0.5000  0.0737  1
  Cr  Cr2  2  0.0059  0.5000  0.6008  1
  Si  Si3  2  0.2396  0.0000  0.6450  1
]