data_MnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   2.89
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   109.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoO4
_chemical_formula_sum   'Mn1 Co1 O4'
_cell_volume   68.01
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.49  0.45  0.0  1.0
  O  O2  1  0.85  0.45  0.95  1.0
  O  O3  1  0.28  0.0  0.95  1.0
  O  O4  1  0.01  0.0  0.78  1.0
  O  O5  1  0.44  0.45  0.77  1.0

data_MnCoO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.97
_cell_length_c   5.02
_cell_angle_alpha   109.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoO4
_chemical_formula_sum   'Mn1 Co1 O4'
_cell_volume   68.01
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.55  0.51  -0.0  1.0
  O  O2  1  0.0  0.72  0.05  1.0
  O  O3  1  0.0  0.99  0.22  1.0
  O  O4  1  0.55  0.15  0.05  1.0
  O  O5  1  0.55  0.56  0.23  1.0

Mn Co O O O O
Mn Co O O O O 0 4 o o - 0 2 - o - 0 2 - - - 0 3 o o - 1 5 o o - 1 2 o o - 1 3 o o - 2 4 + o o 3 4 o o o 