data_[Li8Er6As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9671]
_cell_length_b [7.6374]
_cell_length_c [13.7202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Er3As4]
_chemical_formula_sum '[Li8 Er6 As8]'
_cell_volume [415.7034]
_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  8  0.0000  0.3138  0.3230  1.0
  Er  Er1  4  0.0000  0.5000  0.1154  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  As  As3  4  0.0000  0.0000  0.2275  1.0
  As  As4  4  0.0000  0.2204  0.5000  1.0
]