data_[Y12Tm8Mg4]
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/c]
_cell_length_a [17.1674]
_cell_length_b [6.9447]
_cell_length_c [6.1135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y3Tm2Mg]
_chemical_formula_sum '[Y12 Tm8 Mg4]'
_cell_volume [728.6888]
_cell_formula_units_Z [4]
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  8  0.1671  0.1253  0.0793  1.0
  Y  Y1  4  0.0000  0.3665  0.2500  1.0
  Tm  Tm2  8  0.1667  0.3779  0.5826  1.0
  Mg  Mg3  4  0.0000  0.1313  0.7500  1.0
]