data_CrCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoO4
_chemical_formula_sum   'Cr2 Co2 O8'
_cell_volume   139.92
_cell_formula_units_Z   2
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
  Cr  Cr2  1  0.75  0.14  0.55  1.0
  Cr  Cr3  1  0.75  0.86  0.66  1.0
  Co  Co0  1  0.0  0.0  0.11  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  O  O4  1  0.75  0.09  0.89  1.0
  O  O5  1  0.15  0.19  0.55  1.0
  O  O6  1  0.34  0.19  0.55  1.0
  O  O7  1  0.75  0.09  0.22  1.0
  O  O8  1  0.75  0.91  1.0  1.0
  O  O9  1  0.15  0.81  0.66  1.0
  O  O10  1  0.34  0.81  0.66  1.0
  O  O11  1  0.75  0.91  0.33  1.0

data_CrCoO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoO4
_chemical_formula_sum   'Cr2 Co2 O8'
_cell_volume   139.92
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.75  0.14  0.55  1.0
  Cr  Cr1  1  0.75  0.86  0.66  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.0  0.11  1.0
  O  O4  1  0.15  0.19  0.55  1.0
  O  O5  1  0.15  0.81  0.66  1.0
  O  O6  1  0.34  0.19  0.55  1.0
  O  O7  1  0.34  0.81  0.66  1.0
  O  O8  1  0.75  0.09  0.22  1.0
  O  O9  1  0.75  0.09  0.89  1.0
  O  O10  1  0.75  0.91  0.33  1.0
  O  O11  1  0.75  0.91  1.0  1.0

Cr Cr Co Co O O O O O O O O