data_[Pr1Zn1Ag1P2]
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
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2010]
_cell_length_b [4.2010]
_cell_length_c [6.8373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrZnAgP2]
_chemical_formula_sum '[Pr1 Zn1 Ag1 P2]'
_cell_volume [104.5009]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.0139  1.0
  Zn  Zn1  1  0.6667  0.3333  0.6263  1.0
  Ag  Ag2  1  0.3333  0.6667  0.3627  1.0
  P  P3  1  0.3333  0.6667  0.7469  1.0
  P  P4  1  0.6667  0.3333  0.2502  1.0
]