data_[Ba4Sr2In4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8476]
_cell_length_b [4.4165]
_cell_length_c [7.9053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sr(InAs2)2]
_chemical_formula_sum '[Ba4 Sr2 In4 As8]'
_cell_volume [557.6530]
_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  0.1257  0.0000  0.5508  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.1674  0.5000  0.9868  1
  As  As3  4  0.0232  0.5000  0.7262  1
  As  As4  4  0.2136  0.0000  0.2055  1
]