data_ZnCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   33.65
_cell_angle_beta   33.65
_cell_angle_gamma   33.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoO2
_chemical_formula_sum   'Zn1 Co1 O2'
_cell_volume   40.1
_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
  Zn  Zn0  1  0.0  0.0  0.45  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  O  O2  1  0.0  0.0  0.17  1.0
  O  O3  1  0.0  0.0  0.74  1.0

data_ZnCoO2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   109.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCoO2
_chemical_formula_sum   'Zn2 Co2 O4'
_cell_volume   80.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.55  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  O  O2  2  0.0  0.0  0.26  1.0
  O  O3  2  0.0  0.0  0.83  1.0

Zn Co O O
Zn Co O O 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o - 