data_[Tb4Mn4B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.9162]
_cell_length_b [11.4371]
_cell_length_c [3.4163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [TbMnB4]
_chemical_formula_sum '[Tb4 Mn4 B16]'
_cell_volume [231.1588]
_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  Tb0  4  0.1259  0.1504  0.0000  1
  Mn  Mn1  4  0.1269  0.4165  0.0000  1
  B  B2  4  0.0247  0.6906  0.5000  1
  B  B3  4  0.1119  0.5462  0.5000  1
  B  B4  4  0.1386  0.9678  0.5000  1
  B  B5  4  0.2197  0.8167  0.5000  1
]