data_[Sr4Ca14Ac4]
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 [C2/m]
_cell_length_a [12.1290]
_cell_length_b [9.6092]
_cell_length_c [8.9955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Ca7Ac2]
_chemical_formula_sum '[Sr4 Ca14 Ac4]'
_cell_volume [1020.4870]
_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
[
  Sr  Sr0  4  0.0568  0.5000  0.3169  1
  Ca  Ca1  8  0.2209  0.2984  0.6887  1
  Ca  Ca2  4  0.2292  0.5000  0.0359  1
  Ca  Ca3  2  0.0000  0.0000  0.5000  1
  Ac  Ac4  4  0.0000  0.1934  0.0000  1
]