data_[Ba4Ce2Mg4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1981]
_cell_length_b [4.4641]
_cell_length_c [7.8589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ce(MgAs2)2]
_chemical_formula_sum '[Ba4 Ce2 Mg4 As8]'
_cell_volume [537.2942]
_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  0.1320  0.0000  0.5637  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1757  0.5000  0.9932  1.0
  As  As3  4  0.0130  0.5000  0.7550  1.0
  As  As4  4  0.2038  0.0000  0.1953  1.0
]