data_YNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   6.56
_cell_angle_alpha   106.28
_cell_angle_beta   106.28
_cell_angle_gamma   57.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiSb2
_chemical_formula_sum   'Y1 Ni1 Sb2'
_cell_volume   94.0
_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  0.65  0.0  0.11  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.02  0.0  0.18  1.0
  Sb  Sb2  1  0.29  0.0  0.03  1.0

data_YNiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.23
_cell_length_c   6.56
_cell_angle_alpha   106.28
_cell_angle_beta   90.0
_cell_angle_gamma   118.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiSb2
_chemical_formula_sum   'Y1 Ni1 Sb2'
_cell_volume   94.0
_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  0.0  0.35  0.89  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.71  0.97  1.0
  Sb  Sb3  1  0.0  0.98  0.82  1.0

Y Ni Sb Sb