data_[Sr6Mg4In8]
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 [11.8979]
_cell_length_b [5.2155]
_cell_length_c [9.8235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(MgIn2)2]
_chemical_formula_sum '[Sr6 Mg4 In8]'
_cell_volume [548.3471]
_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  0.1594  0.5000  0.6707  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1322  0.5000  0.3030  1.0
  In  In3  4  0.0513  0.0000  0.3811  1.0
  In  In4  4  0.2444  0.5000  0.0800  1.0
]