data_[Sr1Ca7Ac3]
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
  Ac  1.1000  1.9500  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.8113]
_cell_length_b [7.8113]
_cell_length_c [9.6618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrCa7Ac3]
_chemical_formula_sum '[Sr1 Ca7 Ac3]'
_cell_volume [510.5493]
_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
[
  Sr  Sr0  1  0.3333  0.6667  0.4424  1
  Ca  Ca1  3  0.1635  0.3269  0.1133  1
  Ca  Ca2  3  0.3302  0.1651  0.4506  1
  Ca  Ca3  1  0.6667  0.3333  0.1232  1
  Ac  Ac4  3  0.5012  0.0023  0.7859  1
]