data_[Tm8Mn36Re12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.5776]
_cell_length_b [7.5051]
_cell_length_c [8.5333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm2(Mn3Re)3]
_chemical_formula_sum '[Tm8 Mn36 Re12]'
_cell_volume [805.5173]
_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  0.1526  0.1724  0.7500  1
  Mn  Mn1  16  0.1645  0.1737  0.0957  1
  Mn  Mn2  8  0.0000  0.3375  0.5233  1
  Mn  Mn3  8  0.0924  0.4391  0.2500  1
  Mn  Mn4  4  0.0000  0.1642  0.2500  1
  Re  Re5  8  0.1854  0.5000  0.0000  1
  Re  Re6  4  0.0000  0.0000  0.0000  1
]