data_[Sc6Ni12As10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.8155]
_cell_length_b [11.7052]
_cell_length_c [9.3167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sc3Ni6As5]
_chemical_formula_sum '[Sc6 Ni12 As10]'
_cell_volume [416.0896]
_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
[
  Sc  Sc0  4  0.0000  0.3336  0.7547  1
  Sc  Sc1  2  0.0000  0.0000  0.7469  1
  Ni  Ni2  4  0.0000  0.1680  0.0010  1
  Ni  Ni3  4  0.0000  0.3175  0.3938  1
  Ni  Ni4  2  0.0000  0.5000  0.0028  1
  Ni  Ni5  2  0.0000  0.5000  0.5249  1
  As  As6  4  0.0000  0.1262  0.4720  1
  As  As7  4  0.0000  0.3347  0.1494  1
  As  As8  2  0.0000  0.0000  0.1517  1
]