data_SrCaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   5.51
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaSb2
_chemical_formula_sum   'Sr1 Ca1 Sb2'
_cell_volume   133.35
_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  Sr3  1  0.83  0.76  0.53  1.0
  Ca  Ca0  1  0.0  0.0  0.76  1.0
  Sb  Sb1  1  0.83  0.76  0.84  1.0
  Sb  Sb2  1  0.0  0.0  0.45  1.0

data_SrCaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.51
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaSb2
_chemical_formula_sum   'Sr1 Ca1 Sb2'
_cell_volume   133.35
_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  Sr0  1  0.83  0.76  0.53  1.0
  Ca  Ca1  1  0.0  0.0  0.76  1.0
  Sb  Sb2  1  0.0  0.0  0.45  1.0
  Sb  Sb3  1  0.83  0.76  0.84  1.0

Sr Ca Sb Sb
Sr Ca Sb Sb 0 3 + + o 1 2 - - o 