data_BaSrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   116.88
_cell_angle_beta   110.42
_cell_angle_gamma   101.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrP2
_chemical_formula_sum   'Ba1 Sr1 P2'
_cell_volume   115.82
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.8  0.0  0.18  1.0
  P  P2  1  0.0  0.05  0.21  1.0

data_BaSrP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   101.48
_cell_angle_beta   110.42
_cell_angle_gamma   116.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrP2
_chemical_formula_sum   'Ba1 Sr1 P2'
_cell_volume   115.82
_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  0.39  0.39  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.18  0.38  0.18  1.0
  P  P3  1  0.21  0.21  0.15  1.0

Ba Sr P P
Ba Sr P P 0 3 o o o 0 2 - o o 1 3 o o o 2 3 + o o 