data_[K64Ca16Si48O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [16.1551]
_cell_length_b [16.1551]
_cell_length_c [16.1551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [205]
_chemical_formula_structural [K4Ca(SiO3)3]
_chemical_formula_sum '[K64 Ca16 Si48 O144]'
_cell_volume [4216.2739]
_cell_formula_units_Z [16]
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
[
  K  K0  24  0.0855  0.1540  0.6441  1
  K  K1  24  0.1084  0.6498  0.3898  1
  K  K2  8  0.2490  0.2490  0.2490  1
  K  K3  4  0.0000  0.0000  0.0000  1
  K  K4  4  0.0000  0.0000  0.5000  1
  Ca  Ca5  8  0.1244  0.1244  0.1244  1
  Ca  Ca6  8  0.1276  0.6276  0.8724  1
  Si  Si7  24  0.0092  0.7176  0.2207  1
  Si  Si8  24  0.0243  0.2433  0.4735  1
  O  O9  24  0.0119  0.7442  0.6235  1
  O  O10  24  0.0162  0.0304  0.1659  1
  O  O11  24  0.0232  0.5307  0.8249  1
  O  O12  24  0.0424  0.6200  0.2064  1
  O  O13  24  0.0779  0.7298  0.7725  1
  O  O14  24  0.0832  0.2139  0.2405  1
]