data_Sr2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BiP
_chemical_formula_sum   'Sr2 Bi1 P1'
_cell_volume   120.43
_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
  Sr  Sr2  1  0.85  0.85  0.79  1.0
  Sr  Sr3  1  0.85  0.85  0.04  1.0
  Bi  Bi0  1  0.0  0.0  0.42  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Sr2BiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2BiP
_chemical_formula_sum   'Sr4 Bi2 P2'
_cell_volume   240.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.35  0.5  0.04  1.0
  Sr  Sr1  2  0.35  0.5  0.79  1.0
  Bi  Bi2  2  0.0  0.0  0.42  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Sr Sr Bi P
Sr Sr Bi P 0 3 + + + 0 1 o o + 0 2 + + o 1 3 + + o 1 2 + + o 2 2 + o o 2 2 o + o 2 3 o o o 