data_YBeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeSb2
_chemical_formula_sum   'Y1 Be1 Sb2'
_cell_volume   99.78
_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  Y3  1  0.26  0.0  0.2  1.0
  Be  Be0  1  0.0  0.0  0.3  1.0
  Sb  Sb1  1  0.26  0.0  0.87  1.0
  Sb  Sb2  1  0.0  0.0  0.61  1.0

data_YBeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeSb2
_chemical_formula_sum   'Y1 Be1 Sb2'
_cell_volume   99.78
_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  0.26  0.0  0.2  1.0
  Be  Be1  1  0.0  0.0  0.3  1.0
  Sb  Sb2  1  0.0  0.0  0.61  1.0
  Sb  Sb3  1  0.26  0.0  0.87  1.0

Y Be Sb Sb
Y Be Sb Sb 0 1 o o o 0 2 o o - 1 3 o o o 2 3 o o o 2 3 + o o 2 2 o + o 2 2 + o o 3 3 o + o 3 3 + o o 