data_[Tm24Mg4Mn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.4715]
_cell_length_b [9.5250]
_cell_length_c [9.8851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6MgMn2]
_chemical_formula_sum '[Tm24 Mg4 Mn8]'
_cell_volume [891.7933]
_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
[
  Tm  Tm0  8  0.0000  0.2189  0.2311  1
  Tm  Tm1  8  0.2058  0.5000  0.1904  1
  Tm  Tm2  8  0.2144  0.6898  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Mn  Mn5  4  0.0000  0.3843  0.0000  1
  Mn  Mn6  4  0.0000  0.5000  0.3949  1
]