data_[Li2Er16Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7295]
_cell_length_b [5.0079]
_cell_length_c [6.7440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Er4Ga)2]
_chemical_formula_sum '[Li2 Er16 Ga4]'
_cell_volume [582.6776]
_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  1.0
  Er  Er1  4  0.0257  0.0000  0.7641  1.0
  Er  Er2  4  0.0934  0.5000  0.4668  1.0
  Er  Er3  4  0.1625  0.5000  0.9614  1.0
  Er  Er4  4  0.1970  0.0000  0.2994  1.0
  Ga  Ga5  4  0.1932  0.0000  0.7314  1.0
]