data_[Y4Sb2As1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2680]
_cell_length_b [4.2029]
_cell_length_c [7.3314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y4Sb2AsS]
_chemical_formula_sum '[Y4 Sb2 As1 S1]'
_cell_volume [211.4065]
_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
[
  Y  Y0  2  0.2441  0.0000  0.7318  1
  Y  Y1  2  0.2560  0.5000  0.2683  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
  Sb  Sb3  1  0.5000  0.5000  0.0000  1
  As  As4  1  0.5000  0.0000  0.5000  1
  S  S5  1  0.0000  0.5000  0.5000  1
]