data_Sr2MgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   8.94
_cell_angle_alpha   102.99
_cell_angle_beta   102.99
_cell_angle_gamma   58.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCl
_chemical_formula_sum   'Sr2 Mg1 Cl1'
_cell_volume   139.48
_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
  Sr  Sr2  1  0.14  0.0  0.28  1.0
  Sr  Sr3  1  0.14  0.0  0.36  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.64  0.0  0.32  1.0

data_Sr2MgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.35
_cell_length_c   8.94
_cell_angle_alpha   102.99
_cell_angle_beta   90.0
_cell_angle_gamma   119.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCl
_chemical_formula_sum   'Sr2 Mg1 Cl1'
_cell_volume   139.48
_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
  Sr  Sr0  1  0.0  0.86  0.64  1.0
  Sr  Sr1  1  0.0  0.86  0.72  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.36  0.68  1.0

Sr Sr Mg Cl
Sr Sr Mg Cl 0 1 o o o 0 2 o o o 0 3 o o o 0 3 - o o 1 3 o o o 1 3 - o o 