data_Mg2CrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.2
_cell_angle_alpha   111.68
_cell_angle_beta   111.68
_cell_angle_gamma   31.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrCl
_chemical_formula_sum   'Mg2 Cr1 Cl1'
_cell_volume   82.97
_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  0.23  0.0  0.23  1.0
  Mg  Mg3  1  0.22  0.0  0.36  1.0
  Cr  Cr1  1  0.18  0.0  0.02  1.0
  Cl  Cl0  1  0.89  0.0  0.58  1.0

data_Mg2CrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.2
_cell_length_c   5.72
_cell_angle_alpha   111.68
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrCl
_chemical_formula_sum   'Mg2 Cr1 Cl1'
_cell_volume   82.97
_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  0.0  0.23  0.23  1.0
  Mg  Mg1  1  0.0  0.36  0.22  1.0
  Cr  Cr2  1  0.0  0.02  0.18  1.0
  Cl  Cl3  1  0.0  0.58  0.89  1.0

Mg Mg Cr Cl