data_[Sr3La3Mg51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.4259]
_cell_length_b [10.4259]
_cell_length_c [15.3571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrLaMg17]
_chemical_formula_sum '[Sr3 La3 Mg51]'
_cell_volume [1445.6621]
_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  0.6633  1
  La  La1  3  0.0000  0.0000  0.3325  1
  Mg  Mg2  18  0.0012  0.2989  0.0001  1
  Mg  Mg3  9  0.0082  0.5041  0.1522  1
  Mg  Mg4  9  0.1676  0.3351  0.8344  1
  Mg  Mg5  9  0.1678  0.3356  0.1808  1
  Mg  Mg6  3  0.0000  0.0000  0.0996  1
  Mg  Mg7  3  0.0000  0.0000  0.9018  1
]