data_[Sr8Pm4In4S20]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1020]
_cell_length_b [17.4563]
_cell_length_c [12.7251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2PmInS5]
_chemical_formula_sum '[Sr8 Pm4 In4 S20]'
_cell_volume [911.1812]
_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  0.1118  0.6878  1
  Sr  Sr1  4  0.0000  0.1356  0.3066  1
  Pm  Pm2  4  0.0000  0.2143  0.0144  1
  In  In3  4  0.0000  0.4697  0.4519  1
  S  S4  4  0.0000  0.0503  0.0612  1
  S  S5  4  0.0000  0.2850  0.6647  1
  S  S6  4  0.0000  0.3181  0.3681  1
  S  S7  4  0.0000  0.3710  0.0004  1
  S  S8  4  0.0000  0.4924  0.7688  1
]