data_[Pr3Tm3Mg51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.2416]
_cell_length_b [10.2416]
_cell_length_c [15.2438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrTmMg17]
_chemical_formula_sum '[Pr3 Tm3 Mg51]'
_cell_volume [1384.7127]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.6694  1
  Tm  Tm1  3  0.0000  0.0000  0.3278  1
  Mg  Mg2  18  0.0028  0.3045  1.0000  1
  Mg  Mg3  9  0.0053  0.5027  0.4982  1
  Mg  Mg4  9  0.0144  0.5072  0.1522  1
  Mg  Mg5  9  0.1683  0.3366  0.1826  1
  Mg  Mg6  3  0.0000  0.0000  0.1010  1
  Mg  Mg7  3  0.0000  0.0000  0.9026  1
]