data_[Ni4Ag2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [21.0164]
_cell_length_b [2.7772]
_cell_length_c [11.7890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ni2AgAs3]
_chemical_formula_sum '[Ni4 Ag2 As6]'
_cell_volume [688.0958]
_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  0.0621  0.0000  0.0292  1
  Ag  Ag1  2  0.0000  0.0000  0.3578  1
  As  As2  4  0.1431  0.0000  0.4700  1
  As  As3  2  0.0000  0.0000  0.6536  1
]