data_[Cr4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.0019]
_cell_length_b [13.8842]
_cell_length_c [19.3611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [CrAs2]
_chemical_formula_sum '[Cr4 As8]'
_cell_volume [1075.7674]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  2  0.0000  0.0000  0.4438  1
  Cr  Cr1  2  0.0000  0.5000  0.5171  1
  As  As2  4  0.0000  0.1296  0.5226  1
  As  As3  2  0.0000  0.0000  0.6096  1
  As  As4  2  0.0000  0.5000  0.3843  1
]