data_[Re4Si4As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4781]
_cell_length_b [6.3937]
_cell_length_c [6.3862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ReSiAs]
_chemical_formula_sum '[Re4 Si4 As4]'
_cell_volume [203.2827]
_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
[
  Si  Si0  4  0.1663  0.1731  0.3450  1
  Re  Re1  4  0.2236  0.5252  0.5040  1
  As  As2  4  0.3427  0.5907  0.1579  1
]