data_[Ba4Ca2Sn4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7167]
_cell_length_b [4.9821]
_cell_length_c [7.2808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ca(SnAs2)2]
_chemical_formula_sum '[Ba4 Ca2 Sn4 As8]'
_cell_volume [547.4357]
_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  0.1351  0.0000  0.5805  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1618  0.5000  0.0262  1.0
  As  As3  4  0.0160  0.5000  0.7228  1.0
  As  As4  4  0.2068  0.0000  0.1878  1.0
]