data_[Y4As8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1510]
_cell_length_b [3.8601]
_cell_length_c [7.8124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YAs2]
_chemical_formula_sum '[Y4 As8]'
_cell_volume [298.9647]
_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
[
  Y  Y0  4  0.1602  0.5000  0.6732  1
  As  As1  4  0.0596  0.0000  0.3736  1
  As  As2  4  0.1796  0.5000  0.0478  1
]