data_[Cr4As16]
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 [C2/c]
_cell_length_a [5.6623]
_cell_length_b [11.5903]
_cell_length_c [6.5983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrAs4]
_chemical_formula_sum '[Cr4 As16]'
_cell_volume [400.5259]
_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  4  0.0000  0.0740  0.2500  1.0
  As  As1  8  0.2327  0.2733  0.8109  1.0
  As  As2  8  0.2422  0.4268  0.3403  1.0
]