data_Mg2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   7.37
_cell_angle_alpha   104.22
_cell_angle_beta   104.22
_cell_angle_gamma   57.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SbSe
_chemical_formula_sum   'Mg2 Sb1 Se1'
_cell_volume   91.8
_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  Mg0  1  0.22  0.0  0.51  1.0
  Mg  Mg1  1  0.6  0.0  0.56  1.0
  Sb  Sb2  1  0.41  0.0  0.54  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Mg2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.93
_cell_length_c   7.37
_cell_angle_alpha   104.22
_cell_angle_beta   90.0
_cell_angle_gamma   118.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SbSe
_chemical_formula_sum   'Mg2 Sb1 Se1'
_cell_volume   91.8
_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  Mg0  1  0.0  0.4  0.44  1.0
  Mg  Mg1  1  0.0  0.78  0.49  1.0
  Sb  Sb2  1  0.0  0.59  0.46  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Mg Mg Sb Se