data_[Li2Er2Mg8]
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 [Pmma]
_cell_length_a [9.8897]
_cell_length_b [3.2340]
_cell_length_c [8.8528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LiErMg4]
_chemical_formula_sum '[Li2 Er2 Mg8]'
_cell_volume [283.1364]
_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  0.2500  0.0000  0.8252  1.0
  Er  Er1  2  0.2500  0.0000  0.4623  1.0
  Mg  Mg2  4  0.0214  0.5000  0.6804  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg4  2  0.2500  0.5000  0.1315  1.0
]