data_[Ca2Ac8In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [9.9610]
_cell_length_b [9.9610]
_cell_length_c [6.9522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Ca(AcIn)4]
_chemical_formula_sum '[Ca2 Ac8 In8]'
_cell_volume [689.8146]
_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  0.0000  0.0000  0.0000  1
  Ac  Ac1  8  0.0860  0.2999  0.6338  1
  In  In2  8  0.1185  0.2623  0.1490  1
]