data_[Ba4Sr1In1Ga5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.0482]
_cell_length_b [6.0482]
_cell_length_c [10.9005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba4SrInGa5]
_chemical_formula_sum '[Ba4 Sr1 In1 Ga5]'
_cell_volume [345.3218]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.3297  1
  Ba  Ba1  2  0.3333  0.6667  0.2015  1
  Sr  Sr2  1  0.6667  0.3333  0.0000  1
  In  In3  1  0.0000  0.0000  0.0000  1
  Ga  Ga4  3  0.0257  0.5129  0.5000  1
  Ga  Ga5  2  0.6667  0.3333  0.3214  1
]