data_Sr2CaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaSb
_chemical_formula_sum   'Sr2 Ca1 Sb1'
_cell_volume   156.91
_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  0.82  1.0
  Sr  Sr3  1  0.18  0.18  0.27  1.0
  Ca  Ca0  1  0.0  0.0  0.57  1.0
  Sb  Sb1  1  0.18  0.18  0.96  1.0

data_Sr2CaSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CaSb
_chemical_formula_sum   'Sr4 Ca2 Sb2'
_cell_volume   313.83
_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  0.82  1.0
  Sr  Sr1  2  0.18  0.0  0.27  1.0
  Ca  Ca2  2  0.0  0.0  0.57  1.0
  Sb  Sb3  2  0.18  0.0  0.96  1.0

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