data_[Sm5Zr3Ni16As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [12.8272]
_cell_length_b [12.8272]
_cell_length_c [3.9835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sm5Zr3(Ni4As3)4]
_chemical_formula_sum '[Sm5 Zr3 Ni16 As12]'
_cell_volume [567.6131]
_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  3  0.0000  0.8130  0.5000  1
  Sm  Sm1  2  0.3333  0.6667  0.0000  1
  Zr  Zr2  3  0.0000  0.4320  0.0000  1
  Ni  Ni3  6  0.1196  0.6346  0.5000  1
  Ni  Ni4  6  0.1858  0.3782  0.0000  1
  Ni  Ni5  3  0.0000  0.2752  0.5000  1
  Ni  Ni6  1  0.0000  0.0000  0.0000  1
  As  As7  6  0.1724  0.4760  0.5000  1
  As  As8  3  0.0000  0.1791  0.0000  1
  As  As9  3  0.0000  0.6391  0.0000  1
]