data_[Re2As3]
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 [Pm]
_cell_length_a [17.1040]
_cell_length_b [4.8061]
_cell_length_c [17.1040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Re2As3]
_chemical_formula_sum '[Re2 As3]'
_cell_volume [1217.6418]
_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
[
  Re  Re0  1  0.4598  0.5000  0.9905  1
  Re  Re1  1  0.5078  0.0000  0.0671  1
  As  As2  2  0.5863  0.2451  0.9964  1
  As  As3  1  0.3598  0.0000  0.9496  1
]