data_[Pr4Zn12As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [20.6589]
_cell_length_b [7.3046]
_cell_length_c [4.2151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Pr(ZnAs)3]
_chemical_formula_sum '[Pr4 Zn12 As12]'
_cell_volume [636.0773]
_cell_formula_units_Z [4]
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
[
  Pr  Pr0  4  0.0000  0.0000  0.0024  1.0
  Zn  Zn1  8  0.1282  0.3329  0.0012  1.0
  Zn  Zn2  4  0.2500  0.1789  0.5468  1.0
  As  As3  8  0.0869  0.1669  0.5010  1.0
  As  As4  4  0.2500  0.3475  0.0508  1.0
]