data_[Li2Ce6Er4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0794]
_cell_length_b [12.2673]
_cell_length_c [7.1972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCe3(ErSe3)2]
_chemical_formula_sum '[Li2 Ce6 Er4 Se12]'
_cell_volume [590.2940]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Ce  Ce1  4  0.0000  0.1676  0.5000  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Er  Er3  4  0.0000  0.3338  0.0000  1
  Se  Se4  8  0.2403  0.1636  0.2305  1
  Se  Se5  4  0.2499  0.0000  0.7687  1
]