data_[Tm6Mg2Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3838]
_cell_length_b [3.7071]
_cell_length_c [8.9806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3MgNi]
_chemical_formula_sum '[Tm6 Mg2 Ni2]'
_cell_volume [252.5890]
_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  0.1323  0.7500  0.2781  1
  Tm  Tm1  2  0.2788  0.7500  0.9556  1
  Tm  Tm2  2  0.4866  0.2500  0.3280  1
  Mg  Mg3  2  0.1730  0.2500  0.5989  1
  Ni  Ni4  2  0.1133  0.2500  0.0597  1
]