data_[Sr8Pm4Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pm  1.1300  1.8500  1.1100
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9946]
_cell_length_b [18.0289]
_cell_length_c [12.4619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2PmAlS5]
_chemical_formula_sum '[Sr8 Pm4 Al4 S20]'
_cell_volume [897.4725]
_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
[
  Sr  Sr0  4  0.0000  0.1134  0.6824  1
  Sr  Sr1  4  0.0000  0.1221  0.3287  1
  Pm  Pm2  4  0.0000  0.2067  0.0296  1
  Al  Al3  4  0.0000  0.4449  0.4271  1
  S  S4  4  0.0000  0.0400  0.0246  1
  S  S5  4  0.0000  0.2950  0.6815  1
  S  S6  4  0.0000  0.3234  0.3708  1
  S  S7  4  0.0000  0.3562  0.0083  1
  S  S8  4  0.0000  0.4970  0.7710  1
]