data_[Ca4Fe4Si10O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6735]
_cell_length_b [7.5020]
_cell_length_c [11.8755]
_cell_angle_alpha [103.5497]
_cell_angle_beta [92.9495]
_cell_angle_gamma [93.6289]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2Fe2(SiO3)5]
_chemical_formula_sum '[Ca4 Fe4 Si10 O30]'
_cell_volume [575.4963]
_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
[
  Ca  Ca0  2  0.1980  0.2707  0.9851  1
  Ca  Ca1  2  0.3342  0.7170  0.5453  1
  Fe  Fe2  2  0.3130  0.4487  0.2706  1
  Fe  Fe3  2  0.4359  0.9114  0.8510  1
  Si  Si4  2  0.0755  0.0346  0.1884  1
  Si  Si5  2  0.1558  0.2136  0.4484  1
  Si  Si6  2  0.1860  0.5234  0.7898  1
  Si  Si7  2  0.2922  0.6930  0.0590  1
  Si  Si8  2  0.3858  0.1799  0.6643  1
  O  O9  2  0.0236  0.6933  0.4867  1
  O  O10  2  0.0258  0.4319  0.2592  1
  O  O11  2  0.0779  0.0578  0.3265  1
  O  O12  2  0.1182  0.8154  0.1262  1
  O  O13  2  0.1442  0.9541  0.8788  1
  O  O14  2  0.1721  0.5712  0.9351  1
  O  O15  2  0.2407  0.3054  0.7586  1
  O  O16  2  0.2642  0.1624  0.1534  1
  O  O17  2  0.2798  0.0966  0.5322  1
  O  O18  2  0.3307  0.3585  0.4159  1
  O  O19  2  0.3542  0.5306  0.1182  1
  O  O20  2  0.3768  0.6499  0.7582  1
  O  O21  2  0.4188  0.6920  0.3535  1
  O  O22  2  0.4377  0.0005  0.7126  1
  O  O23  2  0.4723  0.8350  0.0319  1
]