data_LuCrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   11.32
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuCrB4
_chemical_formula_sum   'Lu4 Cr4 B16'
_cell_volume   224.44
_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
  Lu  Lu20  1  0.74  0.7  0.69  1.0
  Lu  Lu21  1  0.67  0.95  0.69  1.0
  Lu  Lu22  1  0.19  0.36  0.69  1.0
  Lu  Lu23  1  0.12  0.61  0.69  1.0
  Cr  Cr16  1  0.65  0.9  0.69  1.0
  Cr  Cr17  1  0.72  0.76  0.69  1.0
  Cr  Cr18  1  0.14  0.56  0.69  1.0
  Cr  Cr19  1  0.21  0.41  0.69  1.0
  B  B0  1  0.07  0.37  0.0  1.0
  B  B1  1  0.26  0.54  0.0  1.0
  B  B2  1  0.79  0.18  0.0  1.0
  B  B3  1  0.59  0.09  0.0  1.0
  B  B4  1  0.66  0.57  0.0  1.0
  B  B5  1  0.72  0.48  0.0  1.0
  B  B6  1  0.19  0.12  0.0  1.0
  B  B7  1  0.14  0.29  0.0  1.0
  B  B8  1  0.72  0.02  0.0  1.0
  B  B9  1  0.67  0.2  0.0  1.0
  B  B10  1  0.14  0.84  0.0  1.0
  B  B11  1  0.2  0.75  0.0  1.0
  B  B12  1  0.27  0.23  0.0  1.0
  B  B13  1  0.07  0.13  0.0  1.0
  B  B14  1  0.6  0.78  0.0  1.0
  B  B15  1  0.79  0.95  0.0  1.0

data_LuCrB4
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.86
_cell_length_b   3.39
_cell_length_c   11.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   LuCrB4
_chemical_formula_sum   'Lu4 Cr4 B16'
_cell_volume   224.44
_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
  Lu  Lu0  2  0.24  0.31  0.8  1.0
  Lu  Lu1  2  0.31  0.31  0.55  1.0
  Cr  Cr2  2  0.22  0.31  0.74  1.0
  Cr  Cr3  2  0.29  0.31  0.6  1.0
  B  B4  2  0.16  -0.0  0.93  1.0
  B  B5  2  0.17  -0.0  0.62  1.0
  B  B6  2  0.23  -0.0  0.41  1.0
  B  B7  2  0.24  -0.0  0.04  1.0
  B  B8  2  0.29  -0.0  0.32  1.0
  B  B9  2  0.29  -0.0  0.87  1.0
  B  B10  2  0.36  -0.0  0.02  1.0
  B  B11  2  0.36  -0.0  0.79  1.0

Lu Lu Lu Lu Cr Cr Cr Cr B B B B B B B B B B B B B B B B