data_[Pr5Zr3Ni16As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [12.8438]
_cell_length_b [12.8438]
_cell_length_c [4.0055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Pr5Zr3(Ni4As3)4]
_chemical_formula_sum '[Pr5 Zr3 Ni16 As12]'
_cell_volume [572.2335]
_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  3  0.0000  0.1886  0.5000  1
  Pr  Pr1  2  0.3333  0.6667  0.0000  1
  Zr  Zr2  3  0.0000  0.5708  0.0000  1
  Ni  Ni3  6  0.1187  0.4859  0.5000  1
  Ni  Ni4  6  0.1874  0.8077  0.0000  1
  Ni  Ni5  3  0.0000  0.7247  0.5000  1
  Ni  Ni6  1  0.0000  0.0000  0.0000  1
  As  As7  6  0.1720  0.6978  0.5000  1
  As  As8  3  0.0000  0.3644  0.0000  1
  As  As9  3  0.0000  0.8194  0.0000  1
]