data_[Pm4Al8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cc]
_cell_length_a [7.3142]
_cell_length_b [12.4258]
_cell_length_c [7.8300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Pm(AlS2)2]
_chemical_formula_sum '[Pm4 Al8 S16]'
_cell_volume [637.2306]
_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
[
  Pm  Pm0  4  0.1697  0.1250  0.4999  1
  Al  Al1  4  0.0785  0.4591  0.6734  1
  Al  Al2  4  0.3966  0.2903  0.3279  1
  S  S3  4  0.0527  0.2457  0.1536  1
  S  S4  4  0.1299  0.2810  0.7386  1
  S  S5  4  0.3937  0.4685  0.2572  1
  S  S6  4  0.4037  0.0050  0.8493  1
]