data_[Ca4Cr4Si8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4500]
_cell_length_b [9.6150]
_cell_length_c [5.5367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaCr(SiO3)2]
_chemical_formula_sum '[Ca4 Cr4 Si8 O24]'
_cell_volume [519.8133]
_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
[
  Ca  Ca0  4  0.0000  0.1050  0.2500  1.0
  Cr  Cr1  4  0.0000  0.2710  0.7500  1.0
  Si  Si2  8  0.2067  0.4159  0.1899  1.0
  O  O3  8  0.1199  0.2724  0.1322  1.0
  O  O4  8  0.1271  0.0960  0.6867  1.0
  O  O5  8  0.1569  0.4869  0.8923  1.0
]