data_[Na6Sm2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.8956]
_cell_length_b [6.8873]
_cell_length_c [20.6112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na3SmAs2]
_chemical_formula_sum '[Na6 Sm2 As4]'
_cell_volume [978.8712]
_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
[
  Na  Na0  4  0.1232  0.4629  0.3639  1
  Na  Na1  2  0.0000  0.3333  0.5000  1
  Sm  Sm2  2  0.0000  0.8447  0.5000  1
  As  As3  4  0.2449  0.5930  0.5782  1
]