data_[Ba2Ce2Sn2As6]
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
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8823]
_cell_length_b [4.6618]
_cell_length_c [9.7275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCeSnAs3]
_chemical_formula_sum '[Ba2 Ce2 Sn2 As6]'
_cell_volume [348.4061]
_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  2  0.2882  0.7500  0.2876  1
  Ce  Ce1  2  0.2754  0.2500  0.9028  1
  Sn  Sn2  2  0.0979  0.7500  0.6331  1
  As  As3  2  0.0147  0.7500  0.8872  1
  As  As4  2  0.2394  0.2500  0.5627  1
  As  As5  2  0.4763  0.7500  0.8311  1
]