data_[Rb4Ga4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.8517]
_cell_length_b [4.1849]
_cell_length_c [8.0977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbGaAs]
_chemical_formula_sum '[Rb4 Ga4 As4]'
_cell_volume [360.8223]
_cell_formula_units_Z [4]
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  2  0.1473  0.0000  0.9333  1.0
  Rb  Rb1  2  0.4489  0.0000  0.2163  1.0
  Ga  Ga2  2  0.1880  0.0000  0.4968  1.0
  Ga  Ga3  2  0.4500  0.5000  0.5639  1.0
  As  As4  2  0.2475  0.5000  0.3332  1.0
  As  As5  2  0.3967  0.0000  0.7254  1.0
]