data_Mg2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   142.08
_cell_angle_beta   142.08
_cell_angle_gamma   54.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BiCl
_chemical_formula_sum   'Mg2 Bi1 Cl1'
_cell_volume   96.48
_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  0.0  0.07  0.82  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.07  0.0  0.82  1.0
  Cl  Cl1  1  0.0  0.0  0.65  1.0

data_Mg2BiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   6.36
_cell_angle_alpha   108.96
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BiCl
_chemical_formula_sum   'Mg2 Bi1 Cl1'
_cell_volume   96.48
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.76  0.82  0.76  1.0
  Bi  Bi2  1  0.82  0.76  0.76  1.0
  Cl  Cl3  1  0.65  0.65  0.65  1.0

Mg Mg Bi Cl
Mg Mg Bi Cl 0 2 o o o 0 1 o o + 0 3 o o o 1 2 o o - 2 3 o o o 