data_BaAs2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.68
_cell_angle_alpha   109.41
_cell_angle_beta   109.41
_cell_angle_gamma   39.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAs2P
_chemical_formula_sum   'Ba1 As2 P1'
_cell_volume   101.24
_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  Ba2  1  0.12  0.0  0.66  1.0
  As  As0  1  0.94  0.0  0.58  1.0
  As  As1  1  0.3  0.0  0.73  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_BaAs2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.45
_cell_length_c   5.68
_cell_angle_alpha   109.41
_cell_angle_beta   90.0
_cell_angle_gamma   109.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAs2P
_chemical_formula_sum   'Ba1 As2 P1'
_cell_volume   101.24
_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  0.88  0.34  1.0
  As  As1  1  0.0  0.06  0.42  1.0
  As  As2  1  0.0  0.7  0.27  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ba As As P