data_[In2Ni4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2491]
_cell_length_b [3.2073]
_cell_length_c [4.9775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InNi2As]
_chemical_formula_sum '[In2 Ni4 As2]'
_cell_volume [129.3600]
_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
[
  In  In0  2  0.2412  0.5000  0.2079  1
  Ni  Ni1  2  0.2458  0.0000  0.7089  1
  Ni  Ni2  2  0.4907  0.5000  0.9567  1
  As  As3  2  0.0223  0.5000  0.6265  1
]