[CIF]
data_Mg2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65900461
_cell_length_b   3.61713273
_cell_length_c   7.38454208
_cell_angle_alpha   90.00000000
_cell_angle_beta   95.29869396
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SbSe
_chemical_formula_sum   'Mg2 Sb1 Se1'
_cell_volume   97.31755057
_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  2.81378468  1.80856637  1.68958739  1
  Mg  Mg1  1  0.16327305  1.80856637  5.66339908  1
  Sb  Sb2  1  1.48852886  0.00000000  3.67649324  1
  Se  Se3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
