data_[Re1O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0484]
_cell_length_b [17.9888]
_cell_length_c [5.3002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReO3]
_chemical_formula_sum '[Re1 O3]'
_cell_volume [279.8585]
_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  0.5262  0.5000  0.9901  1
  O  O1  2  0.6773  0.4169  0.1555  1
  O  O2  1  0.4228  0.5000  0.6520  1
]