data_[Na4Ca4Pr8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.1663]
_cell_length_b [8.2106]
_cell_length_c [11.5670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaCa(PrS2)2]
_chemical_formula_sum '[Na4 Ca4 Pr8 S16]'
_cell_volume [775.5734]
_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
[
  Na  Na0  4  0.0000  0.0000  0.0000  1
  Ca  Ca1  4  0.2500  0.2500  0.2500  1
  Pr  Pr2  4  0.0000  0.0000  0.5000  1
  Pr  Pr3  4  0.2500  0.2500  0.7500  1
  S  S4  8  0.0000  0.0033  0.2505  1
  S  S5  8  0.2466  0.2500  0.4993  1
]