data_[Li2Er4Mn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2177]
_cell_length_b [5.6477]
_cell_length_c [8.9241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiEr2MnO6]
_chemical_formula_sum '[Li2 Er4 Mn2 O12]'
_cell_volume [216.9939]
_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  0.5000  0.0000  0.0000  1.0
  Er  Er1  4  0.2760  0.5833  0.7530  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1262  0.5408  0.2447  1.0
  O  O4  4  0.2341  0.2085  0.0621  1.0
  O  O5  4  0.3551  0.6794  0.0541  1.0
]