data_[Y4Zr4]
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 [C2/m]
_cell_length_a [12.2654]
_cell_length_b [3.4089]
_cell_length_c [5.9725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YZr]
_chemical_formula_sum '[Y4 Zr4]'
_cell_volume [219.2344]
_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  4  0.1207  0.0000  0.4488  1.0
  Zr  Zr1  4  0.1327  0.5000  0.9661  1.0
]