data_[Li3Pm3Er12Se24]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3102]
_cell_length_b [8.3102]
_cell_length_c [20.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiPm(ErSe2)4]
_chemical_formula_sum '[Li3 Pm3 Er12 Se24]'
_cell_volume [1235.5920]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6254  1
  Pm  Pm1  3  0.0000  0.0000  0.9954  1
  Er  Er2  9  0.0142  0.5071  0.5017  1
  Er  Er3  3  0.0000  0.0000  0.3736  1
  Se  Se4  9  0.0166  0.5083  0.7556  1
  Se  Se5  9  0.1717  0.3434  0.5789  1
  Se  Se6  3  0.0000  0.0000  0.2410  1
  Se  Se7  3  0.0000  0.0000  0.7561  1
]