data_[Pm12Sn4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.4444]
_cell_length_b [14.3124]
_cell_length_c [7.1520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pm3SnSe6]
_chemical_formula_sum '[Pm12 Sn4 Se24]'
_cell_volume [1171.4680]
_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  8  0.1857  0.0973  0.4818  1
  Pm  Pm1  4  0.0000  0.4048  0.3891  1
  Sn  Sn2  4  0.0000  0.1997  0.0142  1
  Se  Se3  8  0.1622  0.4674  0.6840  1
  Se  Se4  8  0.1761  0.2706  0.2176  1
  Se  Se5  4  0.0000  0.0285  0.1898  1
  Se  Se6  4  0.0000  0.2220  0.6253  1
]