data_[La1Pr7Mg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.3057]
_cell_length_b [7.3057]
_cell_length_c [8.4671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaPr7Mg3]
_chemical_formula_sum '[La1 Pr7 Mg3]'
_cell_volume [391.3698]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.4562  1
  Pr  Pr1  3  0.1685  0.3370  0.1009  1
  Pr  Pr2  3  0.3368  0.1684  0.4628  1
  Pr  Pr3  1  0.6667  0.3333  0.1148  1
  Mg  Mg4  3  0.5039  0.0079  0.7843  1
]