data_YBP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   145.49
_cell_angle_beta   145.49
_cell_angle_gamma   49.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBP
_chemical_formula_sum   'Y1 B1 P1'
_cell_volume   44.93
_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  0.0  0.0  0.29  1.0
  B  B0  1  0.0  0.0  0.98  1.0
  P  P1  1  0.0  0.0  0.61  1.0

data_YBP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   114.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBP
_chemical_formula_sum   'Y2 B2 P2'
_cell_volume   89.86
_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  0.29  0.0  0.29  1.0
  B  B1  2  0.48  0.5  0.98  1.0
  P  P2  2  0.11  0.5  0.61  1.0

Y B P
Y B P 0 1 o o - 0 2 o o o 1 2 o o o 