data_[Sr4Mg12In8]
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 [17.1761]
_cell_length_b [4.7776]
_cell_length_c [9.0350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrMg3In2]
_chemical_formula_sum '[Sr4 Mg12 In8]'
_cell_volume [670.3435]
_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  4  0.1474  0.0000  0.0603  1.0
  Mg  Mg1  4  0.0443  0.0000  0.3769  1.0
  Mg  Mg2  4  0.0931  0.5000  0.6831  1.0
  Mg  Mg3  4  0.1871  0.5000  0.4640  1.0
  In  In4  4  0.0262  0.5000  0.1710  1.0
  In  In5  4  0.1987  0.0000  0.7089  1.0
]