data_[Sr2Mg6In3]
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 [P-62m]
_cell_length_a [8.8335]
_cell_length_b [8.8335]
_cell_length_c [4.7031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sr2(Mg2In)3]
_chemical_formula_sum '[Sr2 Mg6 In3]'
_cell_volume [317.8228]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0000  1.0
  Mg  Mg1  3  0.0000  0.1990  0.0000  1.0
  Mg  Mg2  3  0.0000  0.7265  0.5000  1.0
  In  In3  3  0.0000  0.3917  0.5000  1.0
]