data_[Sm2Ni12As7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.3801]
_cell_length_b [9.3801]
_cell_length_c [3.8692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Sm2Ni12As7]
_chemical_formula_sum '[Sm2 Ni12 As7]'
_cell_volume [294.8249]
_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  0.0000  1
  Sm  Sm1  1  0.3333  0.6667  0.5000  1
  Ni  Ni2  3  0.0431  0.7578  0.5000  1
  Ni  Ni3  3  0.1036  0.3899  0.0000  1
  Ni  Ni4  3  0.3878  0.2039  0.0000  1
  Ni  Ni5  3  0.5539  0.1245  0.5000  1
  As  As6  3  0.0684  0.6212  0.0000  1
  As  As7  3  0.2629  0.0352  0.5000  1
  As  As8  1  0.6667  0.3333  0.0000  1
]