data_Mg2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AuSe
_chemical_formula_sum   'Mg2 Au1 Se1'
_cell_volume   83.96
_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  Mg1  1  0.0  0.0  0.32  1.0
  Mg  Mg2  1  0.5  0.0  0.33  1.0
  Au  Au0  1  0.5  0.0  0.92  1.0
  Se  Se3  1  0.0  0.0  0.76  1.0

data_Mg2AuSe
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.68
_cell_length_b   6.21
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   94.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Mg2AuSe
_chemical_formula_sum   'Mg2 Au1 Se1'
_cell_volume   83.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.68  0.0  1.0
  Mg  Mg1  1  0.5  0.67  0.0  1.0
  Au  Au2  1  0.5  0.08  0.0  1.0
  Se  Se3  1  0.0  0.24  0.0  1.0

Mg Mg Au Se