data_[Re4As8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8655]
_cell_length_b [3.1406]
_cell_length_c [6.2762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReAs2]
_chemical_formula_sum '[Re4 As8]'
_cell_volume [225.8357]
_cell_formula_units_Z [4]
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  4  0.2413  0.5000  0.3056  1.0
  As  As1  4  0.0839  0.0000  0.2822  1.0
  As  As2  4  0.1455  0.5000  0.8424  1.0
]