data_[Tm6Mg8In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0239]
_cell_length_b [5.0189]
_cell_length_c [9.4291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(Mg2In)2]
_chemical_formula_sum '[Tm6 Mg8 In4]'
_cell_volume [447.4891]
_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  4  0.1659  0.5000  0.6685  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.0683  0.0000  0.4004  1
  Mg  Mg3  4  0.2111  0.5000  0.0442  1
  In  In4  4  0.1093  0.5000  0.2745  1
]