data_[Y4Tm12Mg4]
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 [11.2075]
_cell_length_b [5.1171]
_cell_length_c [10.2530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTm3Mg]
_chemical_formula_sum '[Y4 Tm12 Mg4]'
_cell_volume [584.7915]
_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  4  0.1540  0.5000  0.5544  1.0
  Tm  Tm1  4  0.0347  0.0000  0.3362  1.0
  Tm  Tm2  4  0.0820  0.5000  0.8718  1.0
  Tm  Tm3  4  0.2292  0.5000  0.2265  1.0
  Mg  Mg4  4  0.1302  0.0000  0.0499  1.0
]