data_[Sr1Zn1O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4369]
_cell_length_b [5.0176]
_cell_length_c [6.8144]
_cell_angle_alpha [72.4068]
_cell_angle_beta [88.6503]
_cell_angle_gamma [65.0958]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrZnO5]
_chemical_formula_sum '[Sr1 Zn1 O5]'
_cell_volume [130.2165]
_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  1  0.2056  0.1312  0.0842  1
  Zn  Zn1  1  0.5244  0.7021  0.6785  1
  O  O2  1  0.0216  0.3289  0.6449  1
  O  O3  1  0.3027  0.8384  0.4276  1
  O  O4  1  0.5880  0.3703  0.9924  1
  O  O5  1  0.6412  0.6633  0.9554  1
  O  O6  1  0.9880  0.3231  0.4607  1
]