data_[Ba4Sm2Zn4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8253]
_cell_length_b [4.3112]
_cell_length_c [7.5585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sm(ZnAs2)2]
_chemical_formula_sum '[Ba4 Sm2 Zn4 As8]'
_cell_volume [486.0550]
_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  0.1365  0.0000  0.5766  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1711  0.5000  0.9846  1.0
  As  As3  4  0.0145  0.5000  0.7428  1.0
  As  As4  4  0.2032  0.0000  0.1838  1.0
]