data_[Re3As3Se3]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1180]
_cell_length_b [8.0436]
_cell_length_c [18.7350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [101.4603]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ReAsSe]
_chemical_formula_sum '[Re3 As3 Se3]'
_cell_volume [608.2024]
_cell_formula_units_Z [3]
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  1  0.0888  0.7488  0.5145  1
  Re  Re1  1  0.5222  0.5520  0.4821  1
  Re  Re2  1  0.9394  0.3411  0.5116  1
  As  As3  1  0.0204  0.5489  0.4033  1
  As  As4  1  0.5851  0.8612  0.4310  1
  As  As5  1  0.9216  0.0279  0.5295  1
  Se  Se6  1  0.4167  0.2590  0.4293  1
  Se  Se7  1  0.4636  0.3856  0.5960  1
  Se  Se8  1  0.5841  0.7930  0.6027  1
]