data_[Zr2Al10Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5556]
_cell_length_b [5.7800]
_cell_length_c [8.1637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAl5Cr2]
_chemical_formula_sum '[Zr2 Al10 Cr4]'
_cell_volume [247.7657]
_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  0.0000  0.0000  1.0
  Al  Al1  8  0.1093  0.2661  0.7173  1.0
  Al  Al2  2  0.0000  0.5000  0.0000  1.0
  Cr  Cr3  4  0.1962  0.0000  0.4856  1.0
]