data_[Sr16Mg2Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2030]
_cell_length_b [15.1346]
_cell_length_c [6.3095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8MgGa2]
_chemical_formula_sum '[Sr16 Mg2 Ga4]'
_cell_volume [941.3470]
_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  8  0.1962  0.1345  0.5863  1
  Sr  Sr1  4  0.0000  0.2455  0.0000  1
  Sr  Sr2  4  0.1222  0.5000  0.7964  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  4  0.0000  0.3151  0.5000  1
]