data_Ca(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   7.43
_cell_angle_alpha   122.9
_cell_angle_beta   122.9
_cell_angle_gamma   79.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(SbO2)2
_chemical_formula_sum   'Ca2 Sb4 O8'
_cell_volume   241.94
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.63  0.74  0.63  1.0
  Ca  Ca1  1  0.26  0.27  0.0  1.0
  Sb  Sb2  1  0.23  0.89  0.99  1.0
  Sb  Sb3  1  0.99  0.28  0.03  1.0
  Sb  Sb4  1  0.04  0.89  0.27  1.0
  Sb  Sb5  1  0.27  0.28  0.22  1.0
  O  O6  1  0.23  0.07  0.31  1.0
  O  O7  1  0.32  0.08  0.02  1.0
  O  O8  1  0.03  0.07  0.95  1.0
  O  O9  1  0.55  0.23  0.72  1.0
  O  O10  1  0.56  0.59  0.29  1.0
  O  O11  1  0.71  0.23  0.53  1.0
  O  O12  1  0.95  0.08  0.23  1.0
  O  O13  1  0.7  0.59  0.96  1.0

data_Ca(SbO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   114.19
_cell_angle_beta   114.25
_cell_angle_gamma   100.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(SbO2)2
_chemical_formula_sum   'Ca2 Sb4 O8'
_cell_volume   241.94
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.12  0.74  0.75  1.0
  Ca  Ca1  1  0.27  0.27  0.53  1.0
  Sb  Sb2  1  0.06  0.28  0.34  1.0
  Sb  Sb3  1  0.26  0.28  0.24  1.0
  Sb  Sb4  1  0.63  0.89  0.66  1.0
  Sb  Sb5  1  0.9  0.89  0.13  1.0
  O  O6  1  0.06  0.08  0.38  1.0
  O  O7  1  0.13  0.07  0.15  1.0
  O  O8  1  0.29  0.59  0.85  1.0
  O  O9  1  0.51  0.23  0.06  1.0
  O  O10  1  0.62  0.59  0.33  1.0
  O  O11  1  0.69  0.23  0.4  1.0
  O  O12  1  0.77  0.07  0.0  1.0
  O  O13  1  0.85  0.08  0.8  1.0

Ca Ca Sb Sb Sb Sb O O O O O O O O
Ca Ca Sb Sb Sb Sb O O O O O O O O 0 10 o o o 1 7 o o o 1 5 o o o 2 8 o + o 2 7 o + + 2 6 o + + 3 8 + o - 3 5 + o o 3 9 o o - 3 11 o o - 3 13 o o - 4 12 - + o 4 6 o + o 4 13 - o - 5 8 o o - 5 7 o o o 5 6 o o o 5 11 o o o 6 12 - o o 6 9 o o o 6 11 o o o 7 11 o o o 9 13 o o o 9 11 o o o 11 13 o o o 