data_[Sr6Zr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.4265]
_cell_length_b [9.4265]
_cell_length_c [5.6156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Sr3Zr4]
_chemical_formula_sum '[Sr6 Zr8]'
_cell_volume [432.1392]
_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  6  0.0908  0.4577  0.2500  1
  Zr  Zr1  6  0.0530  0.2094  0.7500  1
  Zr  Zr2  2  0.3333  0.6667  0.7500  1
]