data_[La12Tm2Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [11.6583]
_cell_length_b [5.1235]
_cell_length_c [10.2371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TmMg]
_chemical_formula_sum '[La12 Tm2 Mg2]'
_cell_volume [548.4645]
_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
[
  La  La0  4  0.0035  0.5000  0.2533  1.0
  La  La1  4  0.2456  0.0000  0.8796  1.0
  La  La2  4  0.2496  0.0000  0.3703  1.0
  Tm  Tm3  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg4  2  0.0000  0.0000  0.0000  1.0
]