data_BaGaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   133.72
_cell_angle_beta   133.72
_cell_angle_gamma   67.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaP2
_chemical_formula_sum   'Ba1 Ga1 P2'
_cell_volume   94.58
_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  0.24  0.0  0.37  1.0
  Ga  Ga1  1  0.0  0.0  0.73  1.0
  P  P2  1  0.0  0.24  0.37  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_BaGaP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.69
_cell_angle_alpha   113.14
_cell_angle_beta   113.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaP2
_chemical_formula_sum   'Ba1 Ga1 P2'
_cell_volume   94.58
_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  0.63  0.0  0.87  1.0
  Ga  Ga1  1  0.27  0.0  0.27  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.87  0.24  0.87  1.0

Ba Ga P P