data_UCrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   11.34
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCrB4
_chemical_formula_sum   'U4 Cr4 B16'
_cell_volume   231.08
_cell_formula_units_Z   4
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  U20  1  0.74  0.71  0.74  1.0
  U  U21  1  0.66  0.96  0.74  1.0
  U  U22  1  0.19  0.38  0.74  1.0
  U  U23  1  0.11  0.63  0.74  1.0
  Cr  Cr16  1  0.69  0.0  0.74  1.0
  Cr  Cr17  1  0.76  0.67  0.74  1.0
  Cr  Cr18  1  0.09  0.67  0.74  1.0
  Cr  Cr19  1  0.16  0.34  0.74  1.0
  B  B0  1  0.26  0.53  0.0  1.0
  B  B1  1  0.06  0.37  0.0  1.0
  B  B2  1  0.59  0.12  0.0  1.0
  B  B3  1  0.77  0.18  0.0  1.0
  B  B4  1  0.69  0.49  0.0  1.0
  B  B5  1  0.66  0.55  0.0  1.0
  B  B6  1  0.13  0.3  0.0  1.0
  B  B7  1  0.18  0.14  0.0  1.0
  B  B8  1  0.67  0.2  0.0  1.0
  B  B9  1  0.72  0.04  0.0  1.0
  B  B10  1  0.19  0.79  0.0  1.0
  B  B11  1  0.16  0.85  0.0  1.0
  B  B12  1  0.08  0.16  0.0  1.0
  B  B13  1  0.26  0.22  0.0  1.0
  B  B14  1  0.79  0.97  0.0  1.0
  B  B15  1  0.59  0.82  0.0  1.0

data_UCrB4
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.85
_cell_length_b   3.48
_cell_length_c   11.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   UCrB4
_chemical_formula_sum   'U4 Cr4 B16'
_cell_volume   231.08
_cell_formula_units_Z   4
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
  U  U0  2  0.24  0.26  0.79  1.0
  U  U1  2  0.31  0.26  0.54  1.0
  Cr  Cr2  2  0.26  0.26  0.83  1.0
  Cr  Cr3  2  0.34  0.26  0.5  1.0
  B  B4  2  0.16  -0.0  0.95  1.0
  B  B5  2  0.17  -0.0  0.64  1.0
  B  B6  2  0.24  -0.0  0.38  1.0
  B  B7  2  0.24  -0.0  0.03  1.0
  B  B8  2  0.27  -0.0  0.32  1.0
  B  B9  2  0.29  -0.0  0.87  1.0
  B  B10  2  0.34  -0.0  0.01  1.0
  B  B11  2  0.37  -0.0  0.8  1.0

U U U U Cr Cr Cr Cr B B B B B B B B B B B B B B B B