data_[La3Tm3Mg51]
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 [R3m]
_cell_length_a [10.2673]
_cell_length_b [10.2673]
_cell_length_c [15.2616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LaTmMg17]
_chemical_formula_sum '[La3 Tm3 Mg51]'
_cell_volume [1393.3023]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3316  1
  Tm  Tm1  3  0.0000  0.0000  0.6723  1
  Mg  Mg2  18  0.0319  0.3626  0.6666  1
  Mg  Mg3  9  0.1669  0.3338  0.4839  1
  Mg  Mg4  9  0.1692  0.3385  0.8348  1
  Mg  Mg5  9  0.1750  0.3500  0.1810  1
  Mg  Mg6  3  0.0000  0.0000  0.0973  1
  Mg  Mg7  3  0.0000  0.0000  0.8997  1
]