data_[Pr1Dy1Ni2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7576]
_cell_length_b [3.7576]
_cell_length_c [9.7258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PrDy(NiP2)2]
_chemical_formula_sum '[Pr1 Dy1 Ni2 P4]'
_cell_volume [137.3210]
_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  0.5000  0.5000  0.2313  1
  Dy  Dy1  1  0.0000  0.0000  0.7638  1
  Ni  Ni2  2  0.0000  0.5000  0.5060  1
  P  P3  2  0.0000  0.5000  0.9896  1
  P  P4  1  0.0000  0.0000  0.3769  1
  P  P5  1  0.5000  0.5000  0.6369  1
]