data_[Pm4Ag8Sb4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.1381]
_cell_length_b [8.3786]
_cell_length_c [11.7734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PmAg2SbSe4]
_chemical_formula_sum '[Pm4 Ag8 Sb4 Se16]'
_cell_volume [802.7738]
_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  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.2500  0.2500  0.2500  1
  Sb  Sb3  4  0.2500  0.2500  0.7500  1
  Se  Se4  8  0.0000  0.0003  0.2521  1
  Se  Se5  8  0.2461  0.2500  0.5036  1
]