data_[Rb6Mo2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [21.5072]
_cell_length_b [4.5142]
_cell_length_c [14.5702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Rb3MoAs3]
_chemical_formula_sum '[Rb6 Mo2 As6]'
_cell_volume [1414.5948]
_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  0.1513  0.0000  0.3193  1
  Rb  Rb1  2  0.0000  0.0000  0.5902  1
  Mo  Mo2  2  0.0000  0.0000  0.8664  1
  As  As3  4  0.0882  0.0000  0.9619  1
  As  As4  2  0.0000  0.0000  0.2902  1
]