data_[Rb6Sc2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.5653]
_cell_length_b [8.8224]
_cell_length_c [11.2233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Rb3ScAs2]
_chemical_formula_sum '[Rb6 Sc2 As4]'
_cell_volume [1937.2841]
_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  0.3833  0.0000  0.7340  1
  Rb  Rb1  2  0.5000  0.0000  0.4180  1
  Sc  Sc2  2  0.5000  0.0000  0.0643  1
  As  As3  4  0.5000  0.2437  0.1731  1
]