data_[Pr4Sm12Tm6Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  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 [6.1921]
_cell_length_b [10.7414]
_cell_length_c [11.8376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm6Tm3Mg]
_chemical_formula_sum '[Pr4 Sm12 Tm6 Mg2]'
_cell_volume [775.3759]
_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
[
  Pr  Pr0  4  0.0000  0.3339  0.0000  1.0
  Sm  Sm1  8  0.2496  0.1655  0.2546  1.0
  Sm  Sm2  4  0.2475  0.0000  0.7441  1.0
  Tm  Tm3  4  0.0000  0.1661  0.5000  1.0
  Tm  Tm4  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg5  2  0.0000  0.0000  0.0000  1.0
]