data_[Tm4Ga5Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9260]
_cell_length_b [4.1484]
_cell_length_c [7.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Ga5Si2]
_chemical_formula_sum '[Tm4 Ga5 Si2]'
_cell_volume [226.6619]
_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
[
  Tm  Tm0  2  0.2184  0.5000  0.8638  1.0
  Tm  Tm1  2  0.2416  0.5000  0.3947  1.0
  Ga  Ga2  2  0.1285  0.0000  0.1230  1.0
  Ga  Ga3  2  0.4469  0.0000  0.6590  1.0
  Ga  Ga4  1  0.5000  0.0000  0.0000  1.0
  Si  Si5  2  0.0835  0.0000  0.6295  1.0
]