data_[Sr1Ca3Hf4O12]
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
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6458]
_cell_length_b [8.0708]
_cell_length_c [5.7829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrCa3Hf4O12]
_chemical_formula_sum '[Sr1 Ca3 Hf4 O12]'
_cell_volume [263.5048]
_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  0.5093  0.5000  0.4636  1.0
  Ca  Ca1  1  0.0090  0.0000  0.0414  1.0
  Ca  Ca2  1  0.4892  0.0000  0.5501  1.0
  Ca  Ca3  1  0.9868  0.5000  0.9538  1.0
  Hf  Hf4  2  0.5004  0.2479  0.0016  1.0
  Hf  Hf5  2  0.9993  0.2470  0.4992  1.0
  O  O6  2  0.2068  0.1946  0.7925  1.0
  O  O7  2  0.2999  0.1988  0.2981  1.0
  O  O8  2  0.7087  0.2897  0.7105  1.0
  O  O9  2  0.8005  0.3012  0.2017  1.0
  O  O10  1  0.0759  0.5000  0.5379  1.0
  O  O11  1  0.4019  0.5000  0.0171  1.0
  O  O12  1  0.5980  0.0000  0.9709  1.0
  O  O13  1  0.8988  0.0000  0.4581  1.0
]