data_Mg2ZnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   14.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZnSe
_chemical_formula_sum   'Mg4 Zn2 Se2'
_cell_volume   174.96
_cell_formula_units_Z   2
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  0.15  0.28  1.0
  Mg  Mg1  1  0.86  0.07  0.99  1.0
  Mg  Mg2  1  0.86  0.07  0.29  1.0
  Mg  Mg3  1  0.0  0.15  0.58  1.0
  Zn  Zn6  1  0.0  0.0  0.0  1.0
  Zn  Zn7  1  0.0  0.0  0.29  1.0
  Se  Se4  1  0.0  0.15  0.64  1.0
  Se  Se5  1  0.86  0.07  0.93  1.0

data_Mg2ZnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   14.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZnSe
_chemical_formula_sum   'Mg4 Zn2 Se2'
_cell_volume   174.96
_cell_formula_units_Z   2
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  0.15  0.28  1.0
  Mg  Mg1  1  -0.0  0.15  0.58  1.0
  Mg  Mg2  1  0.86  0.07  0.29  1.0
  Mg  Mg3  1  0.86  0.07  0.99  1.0
  Zn  Zn4  1  0.0  0.0  0.0  1.0
  Zn  Zn5  1  0.0  0.0  0.29  1.0
  Se  Se6  1  -0.0  0.15  0.64  1.0
  Se  Se7  1  0.86  0.07  0.93  1.0

Mg Mg Mg Mg Zn Zn Se Se