data_[Sr1Pr4Zn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7532]
_cell_length_b [3.7532]
_cell_length_c [18.7716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SrPr4Zn5]
_chemical_formula_sum '[Sr1 Pr4 Zn5]'
_cell_volume [264.4295]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.2062  1.0
  Pr  Pr2  2  0.0000  0.0000  0.4015  1.0
  Zn  Zn3  2  0.5000  0.5000  0.1128  1.0
  Zn  Zn4  2  0.5000  0.5000  0.3041  1.0
  Zn  Zn5  1  0.5000  0.5000  0.5000  1.0
]