data_Mn3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   116.99
_cell_angle_beta   116.99
_cell_angle_gamma   116.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Co
_chemical_formula_sum   'Mn3 Co1'
_cell_volume   44.8
_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  Mn1  1  0.01  0.85  0.82  1.0
  Mn  Mn2  1  0.99  0.85  0.82  1.0
  Mn  Mn3  1  0.0  0.3  0.82  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Mn3Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.45
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   116.99
_cell_angle_beta   100.1
_cell_angle_gamma   100.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Co
_chemical_formula_sum   'Mn3 Co1'
_cell_volume   44.8
_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  0.82  0.81  0.97  1.0
  Mn  Mn1  1  0.82  0.82  0.52  1.0
  Mn  Mn2  1  0.82  0.83  0.97  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Mn Mn Mn Co