data_[Sr9Pr3Mg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3263]
_cell_length_b [6.3263]
_cell_length_c [31.4152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3PrMg8]
_chemical_formula_sum '[Sr9 Pr3 Mg24]'
_cell_volume [1088.8560]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.0013  1.0
  Sr  Sr1  3  0.0000  0.0000  0.4984  1.0
  Sr  Sr2  3  0.0000  0.0000  0.6251  1.0
  Pr  Pr3  3  0.0000  0.0000  0.1249  1.0
  Mg  Mg4  9  0.1671  0.3343  0.3976  1.0
  Mg  Mg5  9  0.1681  0.3362  0.8944  1.0
  Mg  Mg6  3  0.0000  0.0000  0.3125  1.0
  Mg  Mg7  3  0.0000  0.0000  0.8117  1.0
]