data_YZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.67
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnB2
_chemical_formula_sum   'Y1 Zn1 B2'
_cell_volume   64.04
_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  Y2  1  0.98  0.0  0.19  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.53  0.84  0.7  1.0
  B  B1  1  0.43  0.84  0.68  1.0

data_YZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.98
_cell_length_c   4.38
_cell_angle_alpha   90.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnB2
_chemical_formula_sum   'Y1 Zn1 B2'
_cell_volume   64.04
_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  0.02  0.81  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.16  0.47  0.3  1.0
  B  B3  1  0.16  0.57  0.32  1.0

Y Zn B B