data_[Y2Tm6Mg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7245]
_cell_length_b [10.0834]
_cell_length_c [6.0296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTm3Mg7]
_chemical_formula_sum '[Y2 Tm6 Mg14]'
_cell_volume [621.1650]
_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
[
  Y  Y0  2  0.0000  0.5000  0.5000  1
  Tm  Tm1  4  0.0000  0.1908  0.0000  1
  Tm  Tm2  2  0.0000  0.0000  0.5000  1
  Mg  Mg3  8  0.1938  0.2425  0.6914  1
  Mg  Mg4  4  0.2372  0.0000  0.0204  1
  Mg  Mg5  2  0.0000  0.5000  0.0000  1
]