data_[Ca8Pr4Sn6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7761]
_cell_length_b [4.7761]
_cell_length_c [25.7762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca4Pr2Sn3H2]
_chemical_formula_sum '[Ca8 Pr4 Sn6 H4]'
_cell_volume [587.9793]
_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
[
  Ca  Ca0  8  0.0000  0.5000  0.0806  1
  Pr  Pr1  4  0.0000  0.0000  0.3024  1
  Sn  Sn2  4  0.0000  0.0000  0.1749  1
  Sn  Sn3  2  0.0000  0.0000  0.0000  1
  H  H4  4  0.0000  0.0000  0.3987  1
]