data_MgAsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   7.43
_cell_length_c   3.08
_cell_angle_alpha   78.63
_cell_angle_beta   77.49
_cell_angle_gamma   23.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAsCl
_chemical_formula_sum   'Mg1 As1 Cl1'
_cell_volume   67.46
_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  0.12  0.23  0.54  1.0
  As  As0  1  0.12  0.23  0.72  1.0
  Cl  Cl1  1  0.12  0.23  0.21  1.0

data_MgAsCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.25
_cell_length_b   14.24
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   133.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAsCl
_chemical_formula_sum   'Mg2 As2 Cl2'
_cell_volume   134.91
_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  0.12  0.0  0.67  1.0
  As  As1  2  0.12  0.0  0.84  1.0
  Cl  Cl2  2  0.12  0.0  0.34  1.0

Mg As Cl
Mg As Cl 0 1 o o o 0 2 o o o 