data_[Sr2Mg4In6]
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 [P6_3/mmc]
_cell_length_a [5.2259]
_cell_length_b [5.2259]
_cell_length_c [13.8106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [SrMg2In3]
_chemical_formula_sum '[Sr2 Mg4 In6]'
_cell_volume [326.6404]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.2500  1
  Mg  Mg1  4  0.3333  0.6667  0.9086  1
  In  In2  4  0.3333  0.6667  0.1361  1
  In  In3  2  0.0000  0.0000  0.0000  1
]