data_[Re1Si2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1295]
_cell_length_b [4.1247]
_cell_length_c [4.4283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReSi2Cl]
_chemical_formula_sum '[Re1 Si2 Cl1]'
_cell_volume [70.9652]
_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
[
  Si  Si0  1  0.2068  0.5000  0.8619  1
  Re  Re1  1  0.8180  0.5000  0.2136  1
  Si  Si2  1  0.8765  0.0000  0.9701  1
  Cl  Cl3  1  0.5987  0.0000  0.4543  1
]