data_[Sr24Ca10Ac2]
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 [7.1764]
_cell_length_b [12.4175]
_cell_length_c [20.4879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr12Ca5Ac]
_chemical_formula_sum '[Sr24 Ca10 Ac2]'
_cell_volume [1813.2883]
_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  8  0.1118  0.3334  0.3378  1
  Sr  Sr1  8  0.2211  0.1656  0.1635  1
  Sr  Sr2  4  0.1117  0.0000  0.3375  1
  Sr  Sr3  4  0.2244  0.5000  0.1636  1
  Ca  Ca4  4  0.0000  0.1663  0.5000  1
  Ca  Ca5  4  0.0000  0.3334  0.0000  1
  Ca  Ca6  2  0.0000  0.5000  0.5000  1
  Ac  Ac7  2  0.0000  0.0000  0.0000  1
]