data_[Tm12Ga12Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5768]
_cell_length_b [4.2311]
_cell_length_c [13.9256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3Ga3Fe]
_chemical_formula_sum '[Tm12 Ga12 Fe4]'
_cell_volume [586.5626]
_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  4  0.0277  0.5000  0.3838  1
  Tm  Tm1  4  0.1046  0.5000  0.9216  1
  Tm  Tm2  4  0.2431  0.5000  0.2340  1
  Ga  Ga3  4  0.0369  0.0000  0.2367  1
  Ga  Ga4  4  0.1118  0.0000  0.0761  1
  Ga  Ga5  4  0.1434  0.0000  0.5421  1
  Fe  Fe6  4  0.2426  0.0000  0.3965  1
]