data_[Re2As6W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5781]
_cell_length_b [3.1587]
_cell_length_c [8.6340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ReAs3W]
_chemical_formula_sum '[Re2 As6 W2]'
_cell_volume [175.0401]
_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
[
  Re  Re0  2  0.3112  0.2500  0.0113  1
  As  As1  2  0.0136  0.7500  0.8526  1
  As  As2  2  0.2730  0.7500  0.4616  1
  As  As3  2  0.4941  0.7500  0.2156  1
  W  W4  2  0.1161  0.2500  0.6366  1
]