data_[Pr6Ni8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1254]
_cell_length_b [4.1393]
_cell_length_c [24.1541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3(NiAs)4]
_chemical_formula_sum '[Pr6 Ni8 As8]'
_cell_volume [412.4557]
_cell_formula_units_Z [2]
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  0.3477  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  4  0.0000  0.0000  0.0972  1.0
  Ni  Ni3  4  0.0000  0.5000  0.2497  1.0
  As  As4  4  0.0000  0.0000  0.1960  1.0
  As  As5  4  0.0000  0.5000  0.4449  1.0
]