data_[Y4Zr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1674]
_cell_length_b [3.3514]
_cell_length_c [7.8659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YZr2]
_chemical_formula_sum '[Y4 Zr8]'
_cell_volume [311.6793]
_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
[
  Y  Y0  2  0.1710  0.5000  0.3388  1.0
  Y  Y1  2  0.4950  0.5000  0.9948  1.0
  Zr  Zr2  2  0.0526  0.0000  0.6135  1.0
  Zr  Zr3  2  0.2236  0.5000  0.9319  1.0
  Zr  Zr4  2  0.3324  0.0000  0.6645  1.0
  Zr  Zr5  2  0.3921  0.0000  0.2897  1.0
]