data_Sr2BPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   31.18
_cell_angle_beta   31.18
_cell_angle_gamma   31.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BPt
_chemical_formula_sum   'Sr2 B1 Pt1'
_cell_volume   111.56
_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  0.0  0.0  0.63  1.0
  Sr  Sr3  1  0.0  0.0  0.53  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.08  1.0

data_Sr2BPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.23
_cell_length_b   4.18
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2BPt
_chemical_formula_sum   'Sr4 B2 Pt2'
_cell_volume   223.12
_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  0.0  0.0  0.37  1.0
  Sr  Sr1  2  0.0  0.0  0.47  1.0
  B  B2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.92  1.0

Sr Sr B Pt
Sr Sr B Pt 0 1 o o o 2 3 o o o 