data_BaTiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.05
_cell_angle_alpha   91.4
_cell_angle_beta   91.4
_cell_angle_gamma   90.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiP2
_chemical_formula_sum   'Ba1 Ti1 P2'
_cell_volume   87.53
_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  0.79  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.84  0.1  0.52  1.0
  P  P2  1  0.84  0.9  0.52  1.0

data_BaTiP2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   91.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaTiP2
_chemical_formula_sum   'Ba1 Ti1 P2'
_cell_volume   87.56
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.0  0.0  0.79  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  P  P2  2  0.52  0.1  0.84  1.0

Ba Ti P P