data_[Sr3Cu1Te2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7872]
_cell_length_b [5.7872]
_cell_length_c [7.1403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3CuTe2O9]
_chemical_formula_sum '[Sr3 Cu1 Te2 O9]'
_cell_volume [207.1014]
_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  2  0.3333  0.6667  0.3444  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.5000  1.0
  Te  Te3  2  0.3333  0.6667  0.8215  1.0
  O  O4  6  0.1697  0.3395  0.6726  1.0
  O  O5  3  0.0000  0.5000  0.0000  1.0
]