data_[Sr6Mg14In8]
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 [C2/m]
_cell_length_a [18.0313]
_cell_length_b [4.8959]
_cell_length_c [11.0938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Mg7In4]
_chemical_formula_sum '[Sr6 Mg14 In8]'
_cell_volume [789.0150]
_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  4  0.1989  0.5000  0.2038  1
  Sr  Sr1  2  0.0000  0.0000  0.5000  1
  Mg  Mg2  4  0.0061  0.5000  0.8055  1
  Mg  Mg3  4  0.1529  0.0000  0.9205  1
  Mg  Mg4  4  0.1727  0.5000  0.5170  1
  Mg  Mg5  2  0.0000  0.0000  0.0000  1
  In  In6  4  0.1201  0.0000  0.3342  1
  In  In7  4  0.1589  0.5000  0.7739  1
]