data_[Sr8Pm4Al4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1537]
_cell_length_b [18.8388]
_cell_length_c [12.9803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2PmAlSe5]
_chemical_formula_sum '[Sr8 Pm4 Al4 Se20]'
_cell_volume [1015.7191]
_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  0.1164  0.6833  1
  Sr  Sr1  4  0.0000  0.1210  0.3291  1
  Pm  Pm2  4  0.0000  0.2062  0.0291  1
  Al  Al3  4  0.0000  0.4426  0.4268  1
  Se  Se4  4  0.0000  0.0409  0.0304  1
  Se  Se5  4  0.0000  0.2955  0.6826  1
  Se  Se6  4  0.0000  0.3193  0.3671  1
  Se  Se7  4  0.0000  0.3566  0.0081  1
  Se  Se8  4  0.0000  0.4979  0.7674  1
]