data_[Tm4Mg5Al2]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9432]
_cell_length_b [3.4203]
_cell_length_c [10.0962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Mg5Al2]
_chemical_formula_sum '[Tm4 Mg5 Al2]'
_cell_volume [273.5585]
_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  0.1565  0.5000  0.8764  1
  Tm  Tm1  2  0.2660  0.5000  0.4440  1
  Mg  Mg2  2  0.1917  0.0000  0.1645  1
  Mg  Mg3  2  0.4285  0.0000  0.7016  1
  Mg  Mg4  1  0.5000  0.0000  0.0000  1
  Al  Al5  2  0.0558  0.0000  0.6289  1
]