data_[Li1Pm1Pb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2763]
_cell_length_b [4.2729]
_cell_length_c [7.4689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiPm(PbSe2)2]
_chemical_formula_sum '[Li1 Pm1 Pb2 Se4]'
_cell_volume [219.8102]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.5000  0.5000  0.0000  1
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.0000  0.5000  0.5000  1
  Pb  Pb3  1  0.5000  0.0000  0.5000  1
  Se  Se4  2  0.2477  0.5000  0.2304  1
  Se  Se5  2  0.2567  0.0000  0.7691  1
]