data_[Na2Ca4Re2O12]
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 [P2_1/c]
_cell_length_a [5.5108]
_cell_length_b [5.8547]
_cell_length_c [9.6351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCa2ReO6]
_chemical_formula_sum '[Na2 Ca4 Re2 O12]'
_cell_volume [258.2298]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1.0
  Ca  Ca1  4  0.2811  0.5646  0.7601  1.0
  Re  Re2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0956  0.5619  0.2191  1.0
  O  O4  4  0.2381  0.2324  0.0797  1.0
  O  O5  4  0.3295  0.6726  0.0483  1.0
]