data_[Y2As4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3074]
_cell_length_b [7.8365]
_cell_length_c [4.6584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YAs2Cl]
_chemical_formula_sum '[Y2 As4 Cl2]'
_cell_volume [188.6168]
_cell_formula_units_Z [2]
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
[
  Y  Y0  2  0.0000  0.5000  0.5000  1
  As  As1  4  0.2500  0.2500  0.0000  1
  Cl  Cl2  2  0.0000  0.0000  0.5000  1
]