data_Sr3UO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.28
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   124.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3UO6
_chemical_formula_sum   'Sr6 U2 O12'
_cell_volume   331.18
_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
  Sr  Sr12  1  0.0  0.0  0.0  1.0
  Sr  Sr13  1  1.0  0.14  0.36  1.0
  Sr  Sr14  1  0.92  0.83  0.12  1.0
  Sr  Sr15  1  0.13  0.98  0.24  1.0
  Sr  Sr16  1  0.92  0.31  0.47  1.0
  Sr  Sr17  1  0.13  0.45  0.6  1.0
  U  U18  1  0.03  0.0  0.36  1.0
  U  U19  1  0.03  0.14  0.0  1.0
  O  O0  1  0.08  0.71  0.02  1.0
  O  O1  1  0.97  0.86  0.04  1.0
  O  O2  1  0.32  0.11  0.92  1.0
  O  O3  1  0.73  0.25  0.43  1.0
  O  O4  1  0.73  0.75  0.76  1.0
  O  O5  1  0.32  0.89  0.31  1.0
  O  O6  1  0.08  0.43  0.67  1.0
  O  O7  1  0.97  0.57  0.69  1.0
  O  O8  1  0.32  0.53  0.95  1.0
  O  O9  1  0.73  0.39  0.4  1.0
  O  O10  1  0.73  0.17  0.79  1.0
  O  O11  1  0.32  0.03  0.28  1.0

data_Sr3UO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.05
_cell_length_b   6.28
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3UO6
_chemical_formula_sum   'Sr6 U2 O12'
_cell_volume   331.18
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.45  0.69  0.53  1.0
  Sr  Sr2  1  0.53  0.55  0.4  1.0
  Sr  Sr3  1  0.64  0.86  0.64  1.0
  Sr  Sr4  1  0.81  0.17  0.88  1.0
  Sr  Sr5  1  0.89  0.02  0.76  1.0
  U  U6  1  0.03  0.86  -0.0  1.0
  U  U7  1  0.67  0.0  0.64  1.0
  O  O8  1  0.01  0.11  0.69  1.0
  O  O9  1  0.04  0.97  0.72  1.0
  O  O10  1  0.05  0.29  0.98  1.0
  O  O11  1  0.28  0.43  0.31  1.0
  O  O12  1  0.3  0.75  0.57  1.0
  O  O13  1  0.32  0.61  0.6  1.0
  O  O14  1  0.37  0.47  0.05  1.0
  O  O15  1  0.39  0.89  0.08  1.0
  O  O16  1  0.41  0.57  0.33  1.0
  O  O17  1  0.93  0.14  0.96  1.0
  O  O18  1  0.94  0.83  0.21  1.0
  O  O19  1  0.97  0.25  0.24  1.0

Sr Sr Sr Sr Sr Sr U U O O O O O O O O O O O O