data_[Ca10Si3S3Cl2O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.7883]
_cell_length_b [6.8179]
_cell_length_c [9.8669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ca10Si3S3(ClO12)2]
_chemical_formula_sum '[Ca10 Si3 S3 Cl2 O24]'
_cell_volume [574.0051]
_cell_formula_units_Z [1]
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  0.3405  0.2552  0.6878  1
  Ca  Ca1  2  0.6744  0.2601  0.3530  1
  Ca  Ca2  1  0.2249  0.5000  0.9585  1
  Ca  Ca3  1  0.2675  0.0000  0.2535  1
  Ca  Ca4  1  0.7266  0.0000  0.9631  1
  Ca  Ca5  1  0.7388  0.5000  0.7573  1
  Ca  Ca6  1  0.9715  0.0000  0.7389  1
  Ca  Ca7  1  0.9809  0.5000  0.2704  1
  Si  Si8  1  0.0370  0.5000  0.6201  1
  Si  Si9  1  0.5949  0.5000  0.9742  1
  Si  Si10  1  0.6137  0.0000  0.5860  1
  S  S11  1  0.3711  0.5000  0.4041  1
  S  S12  1  0.4196  0.0000  0.0413  1
  S  S13  1  0.9691  0.0000  0.3762  1
  Cl  Cl14  2  0.0076  0.2467  0.0119  1
  O  O15  2  0.0919  0.3039  0.7339  1
  O  O16  2  0.2702  0.3232  0.3484  1
  O  O17  2  0.3611  0.1768  0.0860  1
  O  O18  2  0.6417  0.3085  0.9032  1
  O  O19  2  0.7310  0.1932  0.6416  1
  O  O20  2  0.9181  0.1747  0.2738  1
  O  O21  1  0.1406  0.0000  0.4832  1
  O  O22  1  0.1445  0.5000  0.5318  1
  O  O23  1  0.3653  0.0000  0.8720  1
  O  O24  1  0.4010  0.5000  0.8786  1
  O  O25  1  0.4581  0.5000  0.5784  1
  O  O26  1  0.4846  0.5000  0.3441  1
  O  O27  1  0.4864  0.0000  0.6492  1
  O  O28  1  0.5283  0.0000  0.3926  1
  O  O29  1  0.5955  0.0000  0.1297  1
  O  O30  1  0.6753  0.5000  0.1646  1
  O  O31  1  0.8517  0.5000  0.4886  1
  O  O32  1  0.8798  0.0000  0.4643  1
]