data_[Li4Pr8Er4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1528]
_cell_length_b [17.3396]
_cell_length_c [12.4619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2ErSe5]
_chemical_formula_sum '[Li4 Pr8 Er4 Se20]'
_cell_volume [897.3554]
_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
[
  Li  Li0  4  0.0000  0.4856  0.4813  1.0
  Pr  Pr1  4  0.0000  0.1075  0.6857  1.0
  Pr  Pr2  4  0.0000  0.1259  0.2972  1.0
  Er  Er3  4  0.0000  0.1972  0.0031  1.0
  Se  Se4  4  0.0000  0.0482  0.0701  1.0
  Se  Se5  4  0.0000  0.2850  0.6592  1.0
  Se  Se6  4  0.0000  0.3075  0.3459  1.0
  Se  Se7  4  0.0000  0.3614  0.9976  1.0
  Se  Se8  4  0.0000  0.4998  0.2839  1.0
]