data_[Rb4Ni6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.3424]
_cell_length_b [12.9191]
_cell_length_c [18.7243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb2(NiAs)3]
_chemical_formula_sum '[Rb4 Ni6 As6]'
_cell_volume [1050.4435]
_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
[
  Rb  Rb0  4  0.3853  0.3645  0.3784  1
  Ni  Ni1  4  0.0503  0.3173  0.5330  1
  Ni  Ni2  2  0.3292  0.5000  0.5355  1
  As  As3  4  0.0533  0.1482  0.5774  1
  As  As4  2  0.3508  0.0000  0.4868  1
]