data_CaSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   54.68
_cell_angle_beta   54.68
_cell_angle_gamma   54.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnO3
_chemical_formula_sum   'Ca2 Sn2 O6'
_cell_volume   134.72
_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  0.0  0.0  0.75  1.0
  Ca  Ca1  1  0.0  0.0  0.54  1.0
  Sn  Sn8  1  0.0  0.0  0.94  1.0
  Sn  Sn9  1  0.0  0.0  0.35  1.0
  O  O2  1  0.87  0.75  0.82  1.0
  O  O3  1  0.08  0.1  0.82  1.0
  O  O4  1  0.04  0.15  0.82  1.0
  O  O5  1  0.96  0.85  0.47  1.0
  O  O6  1  0.92  0.9  0.47  1.0
  O  O7  1  0.13  0.25  0.47  1.0

data_CaSnO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.01
_cell_angle_alpha   62.66
_cell_angle_beta   62.66
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CaSnO3
_chemical_formula_sum   'Ca2 Sn2 O6'
_cell_volume   134.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.1  0.4  1.0
  Sn  Sn1  2  0.0  0.29  0.21  1.0
  O  O2  2  0.1  0.18  0.15  1.0
  O  O3  2  0.15  0.18  0.13  1.0
  O  O4  2  0.25  0.82  0.3  1.0

Ca Ca Sn Sn O O O O O O