data_[Zr10Cr2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9291]
_cell_length_b [3.3566]
_cell_length_c [7.3379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr5Cr]
_chemical_formula_sum '[Zr10 Cr2]'
_cell_volume [254.4065]
_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  0.0381  0.0000  0.5666  1
  Zr  Zr1  2  0.1691  0.5000  0.9250  1
  Zr  Zr2  2  0.1962  0.5000  0.3636  1
  Zr  Zr3  2  0.3583  0.0000  0.7452  1
  Zr  Zr4  2  0.3909  0.0000  0.1988  1
  Cr  Cr5  2  0.0140  0.0000  0.0341  1
]