data_[Sr3Ca3In12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.6956]
_cell_length_b [6.6956]
_cell_length_c [16.4827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrCaIn4O8]
_chemical_formula_sum '[Sr3 Ca3 In12 O24]'
_cell_volume [639.9371]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.3788  1.0
  Ca  Ca1  3  0.0000  0.0000  0.0018  1.0
  In  In2  9  0.1706  0.3412  0.8328  1.0
  In  In3  3  0.0000  0.0000  0.6187  1.0
  O  O4  9  0.0392  0.5196  0.7616  1.0
  O  O5  9  0.1745  0.3490  0.5755  1.0
  O  O6  3  0.0000  0.0000  0.2361  1.0
  O  O7  3  0.0000  0.0000  0.7550  1.0
]