data_[Rb4Cu12As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4384]
_cell_length_b [3.9399]
_cell_length_c [8.5622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbCu3As2]
_chemical_formula_sum '[Rb4 Cu12 As8]'
_cell_volume [488.2094]
_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  4  0.1420  0.0000  0.0439  1.0
  Cu  Cu1  4  0.0507  0.0000  0.4067  1.0
  Cu  Cu2  4  0.0838  0.5000  0.6202  1.0
  Cu  Cu3  4  0.1859  0.5000  0.4500  1.0
  As  As4  4  0.0268  0.5000  0.2397  1.0
  As  As5  4  0.1907  0.0000  0.6592  1.0
]