data_[V2Re6As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.6304]
_cell_length_b [3.1766]
_cell_length_c [11.2365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [V(ReAs2)3]
_chemical_formula_sum '[V2 Re6 As12]'
_cell_volume [337.2426]
_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
[
  V  V0  2  0.2701  0.7500  0.3663  1
  Re  Re1  2  0.0588  0.2500  0.9285  1
  Re  Re2  2  0.1169  0.7500  0.5770  1
  Re  Re3  2  0.4822  0.7500  0.2170  1
  As  As4  2  0.0187  0.2500  0.6855  1
  As  As5  2  0.1608  0.2500  0.1734  1
  As  As6  2  0.2723  0.7500  0.9913  1
  As  As7  2  0.2904  0.2500  0.5536  1
  As  As8  2  0.3422  0.7500  0.8023  1
  As  As9  2  0.4648  0.2500  0.3817  1
]