data_[Na2Ca1Re1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6703]
_cell_length_b [5.6865]
_cell_length_c [5.8617]
_cell_angle_alpha [118.5659]
_cell_angle_beta [90.4525]
_cell_angle_gamma [119.1638]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2CaReO6]
_chemical_formula_sum '[Na2 Ca1 Re1 O6]'
_cell_volume [137.6168]
_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
[
  Na  Na0  1  0.4654  0.9297  0.3813  1.0
  Na  Na1  1  0.9633  0.9149  0.8790  1.0
  Ca  Ca2  1  0.1849  0.3657  0.5565  1.0
  Re  Re3  1  0.7039  0.3908  0.0631  1.0
  O  O4  1  0.3514  0.2049  0.7817  1.0
  O  O5  1  0.4719  0.2938  0.2695  1.0
  O  O6  1  0.5157  0.9129  0.7935  1.0
  O  O7  1  0.8000  0.8062  0.2381  1.0
  O  O8  1  0.8933  0.4404  0.8109  1.0
  O  O9  1  0.9886  0.4176  0.2416  1.0
]