data_[Sr12Ta4As12O4]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4325]
_cell_length_b [10.7571]
_cell_length_c [13.0211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr3TaAs3O]
_chemical_formula_sum '[Sr12 Ta4 As12 O4]'
_cell_volume [900.9980]
_cell_formula_units_Z [4]
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  8  0.2458  0.0430  0.8715  1
  Sr  Sr1  4  0.2316  0.7500  0.6283  1
  Ta  Ta2  4  0.1587  0.7500  0.0486  1
  As  As3  8  0.2362  0.0480  0.6236  1
  As  As4  4  0.2360  0.7500  0.8634  1
  O  O5  4  0.1350  0.2500  0.9449  1
]