data_TbCo3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCo3B2
_chemical_formula_sum   'Tb1 Co3 B2'
_cell_volume   65.4
_cell_formula_units_Z   1
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  Tb5  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.74  0.17  0.5  1.0
  Co  Co3  1  0.51  0.0  0.5  1.0
  Co  Co4  1  0.26  0.17  0.5  1.0
  B  B0  1  0.0  0.9  0.0  1.0
  B  B1  1  0.51  0.45  0.0  1.0

data_TbCo3B2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.02
_cell_length_b   3.0
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TbCo3B2
_chemical_formula_sum   'Tb1 Co3 B2'
_cell_volume   65.4
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.26  0.5  0.17  1.0
  Co  Co2  1  0.51  0.5  0.0  1.0
  Co  Co3  1  0.74  0.5  0.17  1.0
  B  B4  1  0.0  0.0  0.9  1.0
  B  B5  1  0.51  0.0  0.45  1.0

Tb Co Co Co B B