data_LuCoB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   11.29
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuCoB4
_chemical_formula_sum   'Lu4 Co4 B16'
_cell_volume   219.02
_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  Lu0  1  0.17  0.69  0.66  1.0
  Lu  Lu1  1  0.66  0.6  0.66  1.0
  Lu  Lu2  1  0.75  0.34  0.66  1.0
  Lu  Lu3  1  0.09  0.95  0.66  1.0
  Co  Co4  1  0.13  0.63  0.66  1.0
  Co  Co5  1  0.71  0.66  0.66  1.0
  Co  Co6  1  0.79  0.28  0.66  1.0
  Co  Co7  1  0.04  0.02  0.66  1.0
  B  B8  1  0.65  0.53  0.0  1.0
  B  B9  1  0.18  0.77  0.0  1.0
  B  B10  1  0.26  0.17  0.0  1.0
  B  B11  1  0.57  0.12  0.0  1.0
  B  B12  1  0.8  0.29  0.0  1.0
  B  B13  1  0.03  0.01  0.0  1.0
  B  B14  1  0.12  0.93  0.0  1.0
  B  B15  1  0.72  0.36  0.0  1.0
  B  B16  1  0.14  0.17  0.0  1.0
  B  B17  1  0.7  0.12  0.0  1.0
  B  B18  1  0.78  0.81  0.0  1.0
  B  B19  1  0.05  0.48  0.0  1.0
  B  B20  1  0.26  0.55  0.0  1.0
  B  B21  1  0.57  0.74  0.0  1.0
  B  B22  1  0.66  0.2  0.0  1.0
  B  B23  1  0.18  0.09  0.0  1.0

data_LuCoB4
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.84
_cell_length_b   3.32
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   LuCoB4
_chemical_formula_sum   'Lu4 Co4 B16'
_cell_volume   219.02
_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  0.25  0.34  0.45  1.0
  Lu  Lu1  2  0.33  0.34  0.19  1.0
  Co  Co2  2  0.29  0.34  0.52  1.0
  Co  Co3  2  0.37  0.34  0.13  1.0
  B  B4  2  0.15  -0.0  0.97  1.0
  B  B5  2  0.16  -0.0  0.59  1.0
  B  B6  2  0.24  -0.0  0.38  1.0
  B  B7  2  0.24  -0.0  0.05  1.0
  B  B8  2  0.28  -0.0  0.98  1.0
  B  B9  2  0.3  -0.0  0.21  1.0
  B  B10  2  0.36  -0.0  0.67  1.0
  B  B11  2  0.38  -0.0  0.14  1.0

Lu Lu Lu Lu Co Co Co Co B B B B B B B B B B B B B B B B
Lu Lu Lu Lu Co Co Co Co B B B B B B B B B B B B B B B B 0 4 o o o 0 9 o o + 1 5 o o o 1 8 o o + 2 6 o o o 2 15 o o + 3 7 o + o 3 14 o o + 4 20 o o + 5 21 o o + 6 12 o o + 7 13 o o + 10 16 o o o 10 23 o o o 11 17 o o o 11 22 o o o 12 15 o o o 13 14 o - o 16 23 o o o 17 22 o o o 18 21 o o o 19 20 o o o 