data_[Zr1Zn1Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9069]
_cell_length_b [4.1593]
_cell_length_c [5.8184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrZnSb2]
_chemical_formula_sum '[Zr1 Zn1 Sb2]'
_cell_volume [90.5708]
_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  0.5481  0.5000  0.2150  1.0
  Zn  Zn1  1  0.7204  0.0000  0.5770  1.0
  Sb  Sb2  1  0.2483  0.5000  0.6394  1.0
  Sb  Sb3  1  0.9831  0.0000  0.0685  1.0
]