data_[Ba2Mg4Zn3In1]
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
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6898]
_cell_length_b [4.6898]
_cell_length_c [12.5389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Mg4Zn3In]
_chemical_formula_sum '[Ba2 Mg4 Zn3 In1]'
_cell_volume [275.7864]
_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  0.5000  0.7505  1
  Mg  Mg1  2  0.0000  0.5000  0.3654  1
  Mg  Mg2  1  0.0000  0.0000  0.0000  1
  Mg  Mg3  1  0.5000  0.5000  0.0000  1
  Zn  Zn4  2  0.0000  0.5000  0.1360  1
  Zn  Zn5  1  0.0000  0.0000  0.5000  1
  In  In6  1  0.5000  0.5000  0.5000  1
]