data_Mg2Zn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn2Se
_chemical_formula_sum   'Mg4 Zn4 Se2'
_cell_volume   217.95
_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  0.21  0.74  0.21  1.0
  Mg  Mg1  1  0.21  0.26  0.48  1.0
  Mg  Mg2  1  0.21  0.78  0.2  1.0
  Mg  Mg3  1  0.21  0.22  0.93  1.0
  Zn  Zn6  1  0.21  0.08  0.51  1.0
  Zn  Zn7  1  0.21  0.92  0.24  1.0
  Zn  Zn8  1  0.21  0.88  0.97  1.0
  Zn  Zn9  1  0.21  0.12  0.25  1.0
  Se  Se4  1  0.21  0.65  0.73  1.0
  Se  Se5  1  0.21  0.35  0.01  1.0

data_Mg2Zn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   6.98
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn2Se
_chemical_formula_sum   'Mg4 Zn4 Se2'
_cell_volume   217.95
_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  0.22  0.43  0.2  1.0
  Mg  Mg1  1  0.26  0.47  0.21  1.0
  Mg  Mg2  1  0.74  0.94  0.48  1.0
  Mg  Mg3  1  0.78  0.99  0.93  1.0
  Zn  Zn4  1  0.08  0.29  0.24  1.0
  Zn  Zn5  1  0.12  0.33  0.97  1.0
  Zn  Zn6  1  0.88  0.08  0.25  1.0
  Zn  Zn7  1  0.92  0.12  0.51  1.0
  Se  Se8  1  0.35  0.56  0.73  1.0
  Se  Se9  1  0.65  0.86  0.01  1.0

Mg Mg Mg Mg Zn Zn Zn Zn Se Se