data_MnCo2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   3.69
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2B
_chemical_formula_sum   'Mn1 Co2 B1'
_cell_volume   38.98
_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  Mn3  1  0.38  0.0  0.91  1.0
  Co  Co1  1  0.0  0.84  0.91  1.0
  Co  Co2  1  0.38  0.84  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_MnCo2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.69
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2B
_chemical_formula_sum   'Mn1 Co2 B1'
_cell_volume   38.98
_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  0.38  0.0  0.91  1.0
  Co  Co1  1  0.0  0.84  0.91  1.0
  Co  Co2  1  0.38  0.84  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Mn Co Co B
Mn Co Co B 0 2 o - + 1 3 o + + 