data_[Zr4Cr6Si8]
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 [P2_1/c]
_cell_length_a [6.5303]
_cell_length_b [6.5375]
_cell_length_c [6.4804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr2Cr3Si4]
_chemical_formula_sum '[Zr4 Cr6 Si8]'
_cell_volume [260.0770]
_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  4  0.1904  0.1694  0.0602  1
  Cr  Cr1  4  0.2484  0.6587  0.2506  1
  Cr  Cr2  2  0.5000  0.0000  0.5000  1
  Si  Si3  4  0.0899  0.5487  0.8653  1
  Si  Si4  4  0.4925  0.6339  0.6308  1
]