data_[Zr8Cr4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3323]
_cell_length_b [3.8313]
_cell_length_c [9.6796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2CrSi2]
_chemical_formula_sum '[Zr8 Cr4 Si8]'
_cell_volume [337.2961]
_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  4  0.0071  0.0000  0.6779  1.0
  Zr  Zr1  4  0.1914  0.0000  0.1080  1.0
  Cr  Cr2  4  0.2171  0.5000  0.3696  1.0
  Si  Si3  4  0.0145  0.5000  0.8820  1.0
  Si  Si4  4  0.1353  0.5000  0.5650  1.0
]