data_Mg2CoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.09
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CoCl
_chemical_formula_sum   'Mg2 Co1 Cl1'
_cell_volume   71.76
_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
  Mg  Mg2  1  0.8  0.55  0.12  1.0
  Mg  Mg3  1  0.0  0.55  0.12  1.0
  Co  Co1  1  0.4  0.0  0.62  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Mg2CoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.21
_cell_length_c   7.25
_cell_angle_alpha   93.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CoCl
_chemical_formula_sum   'Mg2 Co1 Cl1'
_cell_volume   71.76
_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
  Mg  Mg0  1  0.45  0.2  0.88  1.0
  Mg  Mg1  1  0.45  1.0  0.88  1.0
  Co  Co2  1  0.0  0.6  0.38  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mg Mg Co Cl
Mg Mg Co Cl 0 1 + o o 0 3 + + o 0 3 + o o 1 3 o + o 1 3 o o o 2 3 o o + 2 3 + o + 2 2 + o o 2 2 o + o 