data_[Sr3Ca1Hf4O12]
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 [5.7506]
_cell_length_b [8.1702]
_cell_length_c [5.8154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sr3CaHf4O12]
_chemical_formula_sum '[Sr3 Ca1 Hf4 O12]'
_cell_volume [273.2302]
_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  0.0090  0.0000  0.9672  1.0
  Sr  Sr1  1  0.4937  0.0000  0.4738  1.0
  Sr  Sr2  1  0.9952  0.5000  0.0282  1.0
  Ca  Ca3  1  0.5070  0.5000  0.5402  1.0
  Hf  Hf4  2  0.0006  0.2525  0.4992  1.0
  Hf  Hf5  2  0.4998  0.2517  0.0015  1.0
  O  O6  2  0.2105  0.2167  0.2113  1.0
  O  O7  2  0.2829  0.2098  0.7172  1.0
  O  O8  2  0.7071  0.3000  0.2922  1.0
  O  O9  2  0.7841  0.2860  0.7837  1.0
  O  O10  1  0.0920  0.5000  0.4883  1.0
  O  O11  1  0.4300  0.5000  0.9611  1.0
  O  O12  1  0.5720  0.0000  0.0241  1.0
  O  O13  1  0.9312  0.0000  0.5064  1.0
]