data_MnCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   4.94
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo3
_chemical_formula_sum   'Mn2 Co6'
_cell_volume   84.28
_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
  Mn  Mn6  1  0.0  0.0  0.45  1.0
  Mn  Mn7  1  0.99  0.47  0.85  1.0
  Co  Co0  1  0.99  0.0  0.88  1.0
  Co  Co1  1  0.0  0.23  0.58  1.0
  Co  Co2  1  0.99  0.24  0.71  1.0
  Co  Co3  1  0.0  0.47  0.42  1.0
  Co  Co4  1  0.0  0.71  0.58  1.0
  Co  Co5  1  0.99  0.7  0.71  1.0

data_MnCo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.3
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo3
_chemical_formula_sum   'Mn2 Co6'
_cell_volume   84.28
_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
  Mn  Mn0  1  0.0  0.55  0.0  1.0
  Mn  Mn1  1  0.01  0.15  0.53  1.0
  Co  Co2  1  0.0  0.42  0.29  1.0
  Co  Co3  1  0.0  0.42  0.77  1.0
  Co  Co4  1  0.0  0.58  0.53  1.0
  Co  Co5  1  0.01  0.12  0.0  1.0
  Co  Co6  1  0.01  0.29  0.3  1.0
  Co  Co7  1  0.01  0.29  0.76  1.0

Mn Mn Co Co Co Co Co Co