data_[Y1Sb1As2]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2061]
_cell_length_b [4.1376]
_cell_length_c [6.0122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YSbAs2]
_chemical_formula_sum '[Y1 Sb1 As2]'
_cell_volume [104.5119]
_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  1  0.4578  0.5000  0.1502  1.0
  Sb  Sb1  1  0.0717  0.0000  0.5801  1.0
  As  As2  1  0.5024  0.5000  0.6398  1.0
  As  As3  1  0.9681  0.0000  0.1298  1.0
]