data_[Li2Er1Mg1Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6899]
_cell_length_b [4.6899]
_cell_length_c [6.7953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2ErMgSn2]
_chemical_formula_sum '[Li2 Er1 Mg1 Sn2]'
_cell_volume [129.4407]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3070  1.0
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  2  0.3333  0.6667  0.7614  1.0
]