data_[As3Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [10.6656]
_cell_length_b [10.6656]
_cell_length_c [18.8671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [As3Cl10]
_chemical_formula_sum '[As3 Cl10]'
_cell_volume [1858.6919]
_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
[
  As  As0  2  0.3333  0.6667  0.5178  1
  As  As1  1  0.0000  0.0000  0.4069  1
  Cl  Cl2  6  0.2272  0.4560  0.5720  1
  Cl  Cl3  3  0.0000  0.8015  0.3670  1
  Cl  Cl4  1  0.0000  0.0000  0.5248  1
]