data_[Sr34Ca24]
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
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [14.2672]
_cell_length_b [14.2672]
_cell_length_c [14.2672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Sr17Ca12]
_chemical_formula_sum '[Sr34 Ca24]'
_cell_volume [2904.1070]
_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  24  0.0447  0.3612  0.6388  1
  Sr  Sr1  8  0.1784  0.1784  0.1784  1
  Sr  Sr2  2  0.0000  0.0000  0.0000  1
  Ca  Ca3  24  0.0925  0.0925  0.7218  1
]