data_Mg2Zn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn2Se
_chemical_formula_sum   'Mg4 Zn4 Se2'
_cell_volume   213.44
_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  0.39  0.9  0.0  1.0
  Mg  Mg1  1  0.64  0.13  0.0  1.0
  Mg  Mg2  1  0.13  0.39  0.0  1.0
  Mg  Mg3  1  0.9  0.64  0.0  1.0
  Zn  Zn6  1  0.97  0.48  0.16  1.0
  Zn  Zn7  1  0.06  0.55  0.16  1.0
  Zn  Zn8  1  0.55  0.97  0.16  1.0
  Zn  Zn9  1  0.48  0.06  0.16  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0
  Se  Se5  1  0.51  0.51  0.0  1.0

data_Mg2Zn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn2Se
_chemical_formula_sum   'Mg4 Zn4 Se2'
_cell_volume   213.44
_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  0.64  0.13  1.0
  Mg  Mg1  1  0.0  0.13  0.39  1.0
  Mg  Mg2  1  0.0  0.9  0.64  1.0
  Mg  Mg3  1  0.0  0.39  0.9  1.0
  Zn  Zn4  1  0.16  0.06  0.55  1.0
  Zn  Zn5  1  0.16  0.48  0.06  1.0
  Zn  Zn6  1  0.16  0.55  0.97  1.0
  Zn  Zn7  1  0.16  0.97  0.48  1.0
  Se  Se8  1  0.0  0.0  0.0  1.0
  Se  Se9  1  0.0  0.51  0.51  1.0

Mg Mg Mg Mg Zn Zn Zn Zn Se Se