data_[Li5Pr2Zn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.6082]
_cell_length_b [5.3416]
_cell_length_c [9.4252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li5Pr2Zn5]
_chemical_formula_sum '[Li5 Pr2 Zn5]'
_cell_volume [232.0048]
_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
[
  Li  Li0  4  0.5000  0.2497  0.2434  1.0
  Li  Li1  1  0.5000  0.5000  0.5000  1.0
  Pr  Pr2  1  0.0000  0.0000  0.5000  1.0
  Pr  Pr3  1  0.0000  0.5000  0.0000  1.0
  Zn  Zn4  2  0.0000  0.0000  0.1714  1.0
  Zn  Zn5  2  0.0000  0.5000  0.3326  1.0
  Zn  Zn6  1  0.5000  0.0000  0.0000  1.0
]