data_MnCoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.14
_cell_angle_alpha   91.57
_cell_angle_beta   91.57
_cell_angle_gamma   35.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoCl2
_chemical_formula_sum   'Mn1 Co1 Cl2'
_cell_volume   82.86
_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  0.49  0.0  0.63  1.0
  Co  Co2  1  0.67  0.0  0.21  1.0
  Cl  Cl0  1  0.49  0.0  0.37  1.0
  Cl  Cl1  1  0.19  0.0  0.63  1.0

data_MnCoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.14
_cell_length_c   5.29
_cell_angle_alpha   91.57
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoCl2
_chemical_formula_sum   'Mn1 Co1 Cl2'
_cell_volume   82.86
_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  0.63  0.49  1.0
  Co  Co1  1  0.0  0.21  0.67  1.0
  Cl  Cl2  1  0.0  0.37  0.49  1.0
  Cl  Cl3  1  0.0  0.63  0.19  1.0

Mn Co Cl Cl