data_[Li2Er4Mg16]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2962]
_cell_length_b [4.9113]
_cell_length_c [6.7327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(ErMg4)2]
_chemical_formula_sum '[Li2 Er4 Mg16]'
_cell_volume [527.9112]
_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  0.5000  0.0000  1
  Er  Er1  4  0.2203  0.0000  0.6507  1
  Mg  Mg2  4  0.0288  0.0000  0.7334  1
  Mg  Mg3  4  0.0900  0.5000  0.4349  1
  Mg  Mg4  4  0.1470  0.0000  0.1539  1
  Mg  Mg5  4  0.1632  0.5000  0.8907  1
]