data_[Ba3Ca2Mg2In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4961]
_cell_length_b [5.4961]
_cell_length_c [15.4521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Ca2(MgIn2)2]
_chemical_formula_sum '[Ba3 Ca2 Mg2 In4]'
_cell_volume [404.2246]
_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  0.2650  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Ca  Ca2  2  0.3333  0.6667  0.5708  1
  Mg  Mg3  2  0.3333  0.6667  0.1517  1
  In  In4  2  0.3333  0.6667  0.3577  1
  In  In5  2  0.3333  0.6667  0.8603  1
]