data_MgBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   131.96
_cell_angle_beta   131.96
_cell_angle_gamma   70.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Cl
_chemical_formula_sum   'Mg1 Bi2 Cl1'
_cell_volume   108.92
_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  Mg3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.38  0.0  0.39  1.0
  Bi  Bi1  1  0.0  0.38  0.39  1.0
  Cl  Cl2  1  0.0  0.0  0.79  1.0

data_MgBi2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   125.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgBi2Cl
_chemical_formula_sum   'Mg2 Bi4 Cl2'
_cell_volume   217.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Bi  Bi1  4  0.31  0.31  0.01  1.0
  Cl  Cl2  2  0.0  0.0  0.79  1.0

Mg Bi Bi Cl