data_[Ba4Mg2Zn2As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1993]
_cell_length_b [4.1993]
_cell_length_c [23.9401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Ba2MgZnAs4]
_chemical_formula_sum '[Ba4 Mg2 Zn2 As8]'
_cell_volume [422.1699]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.6392  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  2  0.0000  0.0000  0.5000  1
  As  As3  4  0.0000  0.0000  0.2503  1
  As  As4  4  0.0000  0.5000  0.0662  1
]