data_[Rb6V3Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [12.4042]
_cell_length_b [12.4042]
_cell_length_c [6.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Rb6V3Br14]
_chemical_formula_sum '[Rb6 V3 Br14]'
_cell_volume [907.8175]
_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  3  0.0173  0.5624  0.2325  1
  Rb  Rb1  3  0.3114  0.1002  0.7497  1
  V  V2  1  0.0000  0.0000  0.1800  1
  V  V3  1  0.3333  0.6667  0.6605  1
  V  V4  1  0.6667  0.3333  0.5122  1
  Br  Br5  3  0.0716  0.8651  0.0466  1
  Br  Br6  3  0.2016  0.4595  0.5337  1
  Br  Br7  3  0.4648  0.2011  0.2962  1
  Br  Br8  3  0.5330  0.4025  0.7250  1
  Br  Br9  1  0.0000  0.0000  0.5367  1
  Br  Br10  1  0.3333  0.6667  0.0166  1
]