data_[Sr6Mg48In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.5069]
_cell_length_b [10.5069]
_cell_length_c [15.3913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr2Mg16In]
_chemical_formula_sum '[Sr6 Mg48 In3]'
_cell_volume [1471.4875]
_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  0.3356  1
  Sr  Sr1  3  0.0000  0.0000  0.6648  1
  Mg  Mg2  18  0.0345  0.3677  0.6672  1
  Mg  Mg3  9  0.0060  0.5030  0.1546  1
  Mg  Mg4  9  0.1674  0.8326  0.8337  1
  Mg  Mg5  9  0.1681  0.8319  0.1803  1
  Mg  Mg6  3  0.0000  0.0000  0.0937  1
  In  In7  3  0.0000  0.0000  0.8970  1
]