data_[Ca4Ac4Si4O16]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.5644]
_cell_length_b [6.8207]
_cell_length_c [9.2580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaAcSiO4]
_chemical_formula_sum '[Ca4 Ac4 Si4 O16]'
_cell_volume [414.5164]
_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  0.2500  0.2500  0.2500  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.0000  0.2500  0.6239  1
  O  O3  8  0.0000  0.0464  0.7260  1
  O  O4  8  0.2058  0.2500  0.5167  1
]