data_YZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnB2
_chemical_formula_sum   'Y1 Zn1 B2'
_cell_volume   62.26
_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  0.61  0.0  0.78  1.0
  Zn  Zn3  1  0.0  0.0  0.23  1.0
  B  B0  1  0.61  0.0  0.35  1.0
  B  B1  1  0.0  0.0  0.9  1.0

data_YZnB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.23
_cell_length_b   5.58
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZnB2
_chemical_formula_sum   'Y2 Zn2 B4'
_cell_volume   124.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.39  0.0  0.22  1.0
  Zn  Zn1  2  0.0  0.0  0.77  1.0
  B  B2  2  0.0  0.0  0.1  1.0
  B  B3  2  0.39  0.0  0.65  1.0

Y Zn B B