data_TbNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   112.93
_cell_angle_beta   112.93
_cell_angle_gamma   102.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNiB4
_chemical_formula_sum   'Tb4 Ni4 B16'
_cell_volume   242.62
_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
  Tb  Tb20  1  0.0  0.0  0.53  1.0
  Tb  Tb21  1  0.77  0.0  0.13  1.0
  Tb  Tb22  1  0.0  0.77  0.13  1.0
  Tb  Tb23  1  0.0  0.0  0.99  1.0
  Ni  Ni16  1  0.0  0.72  0.0  1.0
  Ni  Ni17  1  0.72  0.0  0.0  1.0
  Ni  Ni18  1  0.82  0.0  0.0  1.0
  Ni  Ni19  1  0.0  0.82  0.0  1.0
  B  B0  1  0.69  0.93  0.0  1.0
  B  B1  1  0.08  0.16  0.26  1.0
  B  B2  1  0.76  0.76  0.3  1.0
  B  B3  1  0.01  0.99  0.56  1.0
  B  B4  1  0.93  0.69  0.0  1.0
  B  B5  1  0.61  0.69  0.0  1.0
  B  B6  1  0.76  0.76  0.7  1.0
  B  B7  1  0.01  0.99  0.96  1.0
  B  B8  1  0.99  0.01  0.56  1.0
  B  B9  1  0.01  0.01  0.56  1.0
  B  B10  1  0.16  0.08  0.26  1.0
  B  B11  1  0.84  0.08  0.26  1.0
  B  B12  1  0.99  0.01  0.96  1.0
  B  B13  1  0.01  0.01  0.96  1.0
  B  B14  1  0.69  0.61  0.0  1.0
  B  B15  1  0.08  0.84  0.26  1.0

data_TbNiB4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.53
_cell_length_b   10.67
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   128.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TbNiB4
_chemical_formula_sum   'Tb8 Ni8 B32'
_cell_volume   485.24
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tb  Tb0  4  0.11  0.11  0.87  1.0
  Tb  Tb1  2  0.0  0.0  0.01  1.0
  Tb  Tb2  2  0.0  0.0  0.47  1.0
  Ni  Ni3  4  0.09  0.09  0.0  1.0
  Ni  Ni4  4  0.14  0.14  0.0  1.0
  B  B5  4  -0.0  0.01  0.04  1.0
  B  B6  4  -0.0  0.01  0.44  1.0
  B  B7  4  0.04  0.12  0.74  1.0
  B  B8  4  0.19  0.12  0.0  1.0
  B  B9  4  0.35  0.04  0.0  1.0
  B  B10  4  0.38  0.46  0.74  1.0
  B  B11  2  0.24  0.0  0.3  1.0
  B  B12  2  0.24  0.0  0.7  1.0
  B  B13  2  0.49  0.5  0.04  1.0
  B  B14  2  0.49  0.5  0.44  1.0

Tb Tb Tb Tb Ni Ni Ni Ni B B B B B B B B B B B B B B B B