data_[Zr1Zn1Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8643]
_cell_length_b [4.5796]
_cell_length_c [4.9806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ZrZnSi2]
_chemical_formula_sum '[Zr1 Zn1 Si2]'
_cell_volume [65.3327]
_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  0.5000  0.5000  0.2368  1
  Zn  Zn1  1  0.0000  0.0000  0.5065  1
  Si  Si2  1  0.0000  0.0000  0.0136  1
  Si  Si3  1  0.0000  0.5000  0.7431  1
]