data_[Na4Ca4C8O24]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2612]
_cell_length_b [10.2187]
_cell_length_c [6.7620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCa(CO3)2]
_chemical_formula_sum '[Na4 Ca4 C8 O24]'
_cell_volume [540.3514]
_cell_formula_units_Z [4]
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  4  0.0000  0.1457  0.2500  1.0
  Ca  Ca1  4  0.0000  0.3262  0.7500  1.0
  C  C2  8  0.2417  0.4075  0.2455  1.0
  O  O3  8  0.1250  0.1462  0.6255  1.0
  O  O4  8  0.1281  0.3344  0.1167  1.0
  O  O5  8  0.2227  0.4674  0.7430  1.0
]