data_BaY2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   3.79
_cell_angle_alpha   106.62
_cell_angle_beta   106.62
_cell_angle_gamma   117.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2P
_chemical_formula_sum   'Ba1 Y2 P1'
_cell_volume   119.82
_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
  Ba  Ba0  1  0.39  0.0  0.0  1.0
  Y  Y2  1  0.65  0.79  0.58  1.0
  Y  Y3  1  0.65  0.21  0.58  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_BaY2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.66
_cell_length_c   6.53
_cell_angle_alpha   115.51
_cell_angle_beta   106.62
_cell_angle_gamma   90.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2P
_chemical_formula_sum   'Ba1 Y2 P1'
_cell_volume   119.82
_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
  Ba  Ba0  1  0.0  0.0  0.39  1.0
  Y  Y1  1  0.37  0.79  0.44  1.0
  Y  Y2  1  0.8  0.21  0.86  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ba Y Y P