data_[Zr5Zn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1258]
_cell_length_b [4.9686]
_cell_length_c [10.3519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Zr5Zn3]
_chemical_formula_sum '[Zr5 Zn3]'
_cell_volume [160.7748]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4991  1.0
  Zr  Zr1  1  0.0000  0.5000  0.2403  1.0
  Zr  Zr2  1  0.0000  0.5000  0.7052  1.0
  Zr  Zr3  1  0.5000  0.0000  0.7916  1.0
  Zr  Zr4  1  0.5000  0.5000  0.9890  1.0
  Zn  Zn5  1  0.0000  0.0000  0.0512  1.0
  Zn  Zn6  1  0.5000  0.0000  0.2552  1.0
  Zn  Zn7  1  0.5000  0.5000  0.4684  1.0
]