data_[Rb5As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7059]
_cell_length_b [6.8532]
_cell_length_c [8.3723]
_cell_angle_alpha [70.3793]
_cell_angle_beta [85.6475]
_cell_angle_gamma [86.4115]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb5As4]
_chemical_formula_sum '[Rb5 As4]'
_cell_volume [361.0979]
_cell_formula_units_Z [1]
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  0.2310  0.2032  0.4767  1.0
  Rb  Rb1  2  0.3332  0.5035  0.7952  1.0
  Rb  Rb2  1  0.0000  0.0000  0.0000  1.0
  As  As3  2  0.2759  0.7588  0.3416  1.0
  As  As4  2  0.4785  0.0303  0.1407  1.0
]