data_[Tm2Mn4Re2]
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 [P-1]
_cell_length_a [2.9219]
_cell_length_b [5.6174]
_cell_length_c [8.2385]
_cell_angle_alpha [104.0159]
_cell_angle_beta [93.6549]
_cell_angle_gamma [96.4389]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmMn2Re]
_chemical_formula_sum '[Tm2 Mn4 Re2]'
_cell_volume [129.7874]
_cell_formula_units_Z [2]
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  2  0.1478  0.1579  0.7024  1
  Mn  Mn1  2  0.3210  0.6543  0.5463  1
  Mn  Mn2  1  0.5000  0.0000  0.0000  1
  Mn  Mn3  1  0.5000  0.5000  0.0000  1
  Re  Re4  2  0.1344  0.3313  0.2081  1
]