data_[Tm4Mg6Ni4]
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 [C2/m]
_cell_length_a [10.1268]
_cell_length_b [3.7990]
_cell_length_c [7.4674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Mg3Ni2]
_chemical_formula_sum '[Tm4 Mg6 Ni4]'
_cell_volume [285.0790]
_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  0.1242  0.5000  0.3690  1.0
  Mg  Mg1  4  0.1876  0.5000  0.8518  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  4  0.0836  0.0000  0.6364  1.0
]