data_UMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   110.94
_cell_angle_beta   107.98
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UMnO4
_chemical_formula_sum   'U2 Mn2 O8'
_cell_volume   163.05
_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
  U  U0  1  0.38  0.75  0.95  1.0
  U  U1  1  0.0  0.75  0.49  1.0
  Mn  Mn2  1  0.0  0.51  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.38  0.47  0.29  1.0
  O  O5  1  0.0  0.04  0.16  1.0
  O  O6  1  0.38  0.04  0.29  1.0
  O  O7  1  0.0  0.47  0.16  1.0
  O  O8  1  0.98  0.25  0.39  1.0
  O  O9  1  0.98  0.75  0.49  1.0
  O  O10  1  0.4  0.75  0.95  1.0
  O  O11  1  0.4  0.26  0.05  1.0

data_UMnO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   107.98
_cell_angle_beta   109.51
_cell_angle_gamma   110.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UMnO4
_chemical_formula_sum   'U2 Mn2 O8'
_cell_volume   163.05
_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
  U  U0  1  0.75  0.49  0.0  1.0
  U  U1  1  0.75  0.95  0.38  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.51  0.0  0.0  1.0
  O  O4  1  0.04  0.16  0.0  1.0
  O  O5  1  0.04  0.29  0.38  1.0
  O  O6  1  0.25  0.39  0.98  1.0
  O  O7  1  0.26  0.05  0.4  1.0
  O  O8  1  0.47  0.16  0.0  1.0
  O  O9  1  0.47  0.29  0.38  1.0
  O  O10  1  0.75  0.49  0.98  1.0
  O  O11  1  0.75  0.95  0.4  1.0

U U Mn Mn O O O O O O O O