data_La2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   147.4
_cell_angle_beta   147.4
_cell_angle_gamma   46.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoO4
_chemical_formula_sum   'La2 Co1 O4'
_cell_volume   96.9
_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
  La  La0  1  0.0  0.0  0.13  1.0
  La  La1  1  0.0  0.0  0.62  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  O  O3  1  0.95  0.0  0.0  1.0
  O  O4  1  0.0  0.95  0.0  1.0
  O  O5  1  0.0  0.0  0.43  1.0
  O  O6  1  0.0  0.0  0.32  1.0

data_La2CoO4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   113.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2CoO4
_chemical_formula_sum   'La4 Co2 O8'
_cell_volume   193.81
_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
  La  La0  2  0.12  0.5  0.62  1.0
  La  La1  2  0.13  0.0  0.13  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  O  O3  4  0.03  0.03  0.05  1.0
  O  O4  2  0.32  0.0  0.32  1.0
  O  O5  2  0.43  0.0  0.43  1.0

La La Co O O O O