[CIF]
data_MgCuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92774149
_cell_length_b   3.92774149
_cell_length_c   8.70812269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuSe
_chemical_formula_sum   'Mg2 Cu2 Se2'
_cell_volume   116.34318896
_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
  Cu  Cu0  1  0.00000000  0.00000000  6.74439095  1
  Cu  Cu1  1  0.00000000  0.00000000  2.39032961  1
  Mg  Mg2  1  1.96387074  1.13384130  5.03292552  1
  Mg  Mg3  1  0.00000000  2.26768261  0.67886417  1
  Se  Se4  1  1.96387074  1.13384130  7.81595958  1
  Se  Se5  1  0.00000000  2.26768261  3.46189824  1
[/CIF]
