data_[Sr12Ta6Mo6P36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0143]
_cell_length_b [6.0143]
_cell_length_c [37.7642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2TaMoP6]
_chemical_formula_sum '[Sr12 Ta6 Mo6 P36]'
_cell_volume [1182.9997]
_cell_formula_units_Z [6]
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  0.0000  0.0000  0.1088  1
  Sr  Sr1  6  0.0000  0.0000  0.2942  1
  Ta  Ta2  6  0.0000  0.0000  0.4272  1
  Mo  Mo3  3  -0.0000  -0.0000  0.5000  1
  Mo  Mo4  3  0.0000  0.0000  0.0000  1
  P  P5  18  0.0506  0.5253  0.2945  1
  P  P6  18  0.0687  0.5344  0.8710  1
]