data_[Na2Ca2Ru2O8]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8882]
_cell_length_b [3.8882]
_cell_length_c [11.9874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [NaCaRuO4]
_chemical_formula_sum '[Na2 Ca2 Ru2 O8]'
_cell_volume [181.2289]
_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  0.0000  0.0000  0.6507  1
  Ca  Ca1  2  0.0000  0.0000  0.3543  1
  Ru  Ru2  2  0.0000  0.0000  0.0051  1
  O  O3  4  0.0000  0.5000  0.4932  1
  O  O4  2  0.0000  0.0000  0.1644  1
  O  O5  2  0.0000  0.0000  0.8392  1
]