data_[Y12Tm4Mg2]
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 [P4_2/mnm]
_cell_length_a [10.5677]
_cell_length_b [10.5677]
_cell_length_c [5.0141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Y6Tm2Mg]
_chemical_formula_sum '[Y12 Tm4 Mg2]'
_cell_volume [559.9491]
_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  8  0.0025  0.6677  0.0000  1.0
  Y  Y1  4  0.1620  0.1620  0.5000  1.0
  Tm  Tm2  4  0.1708  0.8292  0.5000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
]