data_[As4Se4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4374]
_cell_length_b [3.7667]
_cell_length_c [6.5884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AsSeCl]
_chemical_formula_sum '[As4 Se4 Cl4]'
_cell_volume [344.3290]
_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
[
  As  As0  4  0.2482  0.0000  0.7696  1
  Se  Se1  4  0.1392  0.5000  0.8545  1
  Cl  Cl2  4  0.1351  0.0000  0.3343  1
]