data_[Ba2Mg1Zn4Si3]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4623]
_cell_length_b [4.4623]
_cell_length_c [10.9651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2MgZn4Si3]
_chemical_formula_sum '[Ba2 Mg1 Zn4 Si3]'
_cell_volume [218.3410]
_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  0.7635  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Zn  Zn2  2  0.0000  0.5000  0.3600  1.0
  Zn  Zn3  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn4  1  0.5000  0.5000  0.0000  1.0
  Si  Si5  2  0.0000  0.5000  0.1251  1.0
  Si  Si6  1  0.0000  0.0000  0.5000  1.0
]