data_[Sm1Zn1Ag1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2985]
_cell_length_b [4.2985]
_cell_length_c [6.9241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmZnAgAs2]
_chemical_formula_sum '[Sm1 Zn1 Ag1 As2]'
_cell_volume [110.7959]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.0000  0.0000  0.0148  1.0
  Zn  Zn1  1  0.6667  0.3333  0.6249  1.0
  Ag  Ag2  1  0.3333  0.6667  0.3636  1.0
  As  As3  1  0.3333  0.6667  0.7556  1.0
  As  As4  1  0.6667  0.3333  0.2411  1.0
]