data_SrGdCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   146.88
_cell_angle_beta   146.88
_cell_angle_gamma   47.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGdCoO4
_chemical_formula_sum   'Sr1 Gd1 Co1 O4'
_cell_volume   86.78
_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  0.0  0.0  0.81  1.0
  Gd  Gd1  1  0.0  0.0  0.4  1.0
  Co  Co2  1  0.0  0.0  0.06  1.0
  O  O3  1  0.0  0.0  0.21  1.0
  O  O4  1  0.0  0.0  0.08  1.0
  O  O5  1  0.0  0.89  0.93  1.0
  O  O6  1  0.89  0.0  0.93  1.0

data_SrGdCoO4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   113.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrGdCoO4
_chemical_formula_sum   'Sr2 Gd2 Co2 O8'
_cell_volume   173.57
_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
  Sr  Sr0  2  0.31  0.5  0.81  1.0
  Gd  Gd1  2  0.4  0.0  0.4  1.0
  Co  Co2  2  0.06  0.0  0.06  1.0
  O  O3  4  0.48  0.45  0.04  1.0
  O  O4  2  0.08  0.0  0.08  1.0
  O  O5  2  0.21  0.0  0.21  1.0

Sr Gd Co O O O O