data_[Li6Re2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.4552]
_cell_length_b [3.0784]
_cell_length_c [13.5212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li3ReAs3]
_chemical_formula_sum '[Li6 Re2 As6]'
_cell_volume [809.7826]
_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  4  0.3855  0.0000  0.5223  1
  Li  Li1  2  0.5000  0.0000  0.3259  1
  Re  Re2  2  0.5000  0.0000  0.6336  1
  As  As3  4  0.4039  0.0000  0.1951  1
  As  As4  2  0.5000  0.0000  0.9848  1
]