data_[Al1Re2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4588]
_cell_length_b [4.8853]
_cell_length_c [18.9186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [106.3853]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al(ReAs2)2]
_chemical_formula_sum '[Al1 Re2 As4]'
_cell_volume [395.3597]
_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
[
  Al  Al0  1  0.4445  0.3614  0.5369  1
  Re  Re1  1  0.3002  0.8164  0.4907  1
  Re  Re2  1  0.9110  0.2316  0.4723  1
  As  As3  1  0.3648  0.1578  0.3925  1
  As  As4  1  0.7149  0.9381  0.5842  1
  As  As5  1  0.7522  0.6936  0.4236  1
  As  As6  1  0.9718  0.5181  0.5997  1
]