data_[Ni10As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0815]
_cell_length_b [3.5871]
_cell_length_c [7.6038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni5As4]
_chemical_formula_sum '[Ni10 As8]'
_cell_volume [256.4641]
_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
[
  Ni  Ni0  4  0.0797  0.5000  0.2875  1.0
  Ni  Ni1  4  0.1958  0.5000  0.0710  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  As  As3  4  0.0607  0.0000  0.7444  1.0
  As  As4  4  0.2443  0.0000  0.3199  1.0
]