data_[Ba4Mg4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.2643]
_cell_length_b [5.3391]
_cell_length_c [8.7148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.9361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMgIn]
_chemical_formula_sum '[Ba4 Mg4 In4]'
_cell_volume [410.9303]
_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
[
  Ba  Ba0  4  0.0488  0.0000  0.8014  1.0
  Mg  Mg1  4  0.1701  0.5000  0.2461  1.0
  In  In2  4  0.1617  0.5000  0.6061  1.0
]