data_[Tb1Mn4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7694]
_cell_length_b [6.0236]
_cell_length_c [6.1608]
_cell_angle_alpha [104.3237]
_cell_angle_beta [117.3147]
_cell_angle_gamma [103.6430]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbMn4O8]
_chemical_formula_sum '[Tb1 Mn4 O8]'
_cell_volume [168.4555]
_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  Tb0  1  0.5000  0.5000  0.0000  1
  Mn  Mn1  2  0.2156  0.9373  0.7118  1
  Mn  Mn2  2  0.2497  0.0109  0.2443  1
  O  O3  2  0.0150  0.2019  0.1723  1
  O  O4  2  0.0402  0.1900  0.7137  1
  O  O5  2  0.4764  0.7754  0.8022  1
  O  O6  2  0.4990  0.1730  0.6879  1
]