data_[Zn4Se4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0901]
_cell_length_b [8.7965]
_cell_length_c [7.2561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnSeO3]
_chemical_formula_sum '[Zn4 Se4 O12]'
_cell_volume [308.3674]
_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
[
  Zn  Zn0  4  0.0000  0.3334  0.0000  1.0
  Se  Se1  4  0.1242  0.0000  0.2779  1.0
  O  O2  8  0.0786  0.1574  0.8240  1.0
  O  O3  4  0.1056  0.5000  0.8225  1.0
]