data_[Sr12Th9Zr3As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5910]
_cell_length_b [8.5910]
_cell_length_c [21.5525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr4Th3ZrAs8]
_chemical_formula_sum '[Sr12 Th9 Zr3 As24]'
_cell_volume [1377.5882]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Sr  Sr1  3  -0.0000  -0.0000  0.0000  1
  Th  Th2  9  0.0000  0.5000  0.5000  1
  Zr  Zr3  3  0.0000  0.0000  0.5000  1
  As  As4  18  0.0134  0.5067  0.2402  1
  As  As5  6  0.0000  0.0000  0.2428  1
]