data_MnCoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoCl
_chemical_formula_sum   'Mn1 Co1 Cl1'
_cell_volume   41.09
_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  Mn2  1  0.0  0.28  0.53  1.0
  Co  Co1  1  0.97  0.14  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_MnCoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.94
_cell_length_c   3.94
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoCl
_chemical_formula_sum   'Mn1 Co1 Cl1'
_cell_volume   41.09
_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  0.53  -0.0  0.28  1.0
  Co  Co1  1  -0.0  0.97  0.14  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Mn Co Cl
Mn Co Cl 0 1 - o o 0 1 - o + 0 2 o o + 1 2 + o o 