data_Y(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   117.12
_cell_angle_beta   117.12
_cell_angle_gamma   79.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(BO2)3
_chemical_formula_sum   'Y2 B6 O12'
_cell_volume   197.21
_cell_formula_units_Z   2
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  0.93  0.63  0.27  1.0
  Y  Y1  1  0.07  0.37  0.8  1.0
  B  B2  1  0.93  0.26  0.27  1.0
  B  B3  1  1.0  0.48  0.1  1.0
  B  B4  1  0.14  0.52  0.64  1.0
  B  B5  1  0.86  0.48  0.44  1.0
  B  B6  1  0.0  0.52  0.97  1.0
  B  B7  1  0.07  0.74  0.8  1.0
  O  O8  1  1.0  0.51  0.52  1.0
  O  O9  1  0.75  0.14  0.49  1.0
  O  O10  1  0.91  0.74  0.55  1.0
  O  O11  1  0.77  0.26  0.02  1.0
  O  O12  1  0.11  0.14  0.05  1.0
  O  O13  1  0.86  0.51  0.02  1.0
  O  O14  1  0.14  0.49  0.05  1.0
  O  O15  1  0.89  0.86  0.02  1.0
  O  O16  1  0.23  0.74  0.05  1.0
  O  O17  1  0.09  0.26  0.52  1.0
  O  O18  1  0.25  0.86  0.58  1.0
  O  O19  1  0.0  0.49  0.56  1.0

data_Y(BO2)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   79.01
_cell_angle_beta   62.88
_cell_angle_gamma   62.88
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y(BO2)3
_chemical_formula_sum   'Y2 B6 O12'
_cell_volume   197.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.23  0.07  0.37  1.0
  B  B1  2  0.06  0.0  0.52  1.0
  B  B2  2  0.23  0.07  0.74  1.0
  B  B3  2  0.4  0.14  0.52  1.0
  O  O4  2  0.01  0.89  0.86  1.0
  O  O5  2  0.02  0.86  0.51  1.0
  O  O6  2  0.02  0.77  0.26  1.0
  O  O7  2  0.45  0.25  0.86  1.0
  O  O8  2  0.48  0.0  0.49  1.0
  O  O9  2  0.48  0.91  0.74  1.0

Y Y B B B B B B O O O O O O O O O O O O