data_[Sr8Mg12Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.6358]
_cell_length_b [17.5146]
_cell_length_c [8.7683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr2Mg3Sn4]
_chemical_formula_sum '[Sr8 Mg12 Sn16]'
_cell_volume [1019.0776]
_cell_formula_units_Z [4]
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  8  0.0000  0.1088  0.5921  1.0
  Mg  Mg1  8  0.2500  0.2226  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  8  0.0000  0.1814  0.9698  1.0
  Sn  Sn4  8  0.2500  0.0557  0.2500  1.0
]