data_Mg2AgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   145.83
_cell_angle_beta   145.83
_cell_angle_gamma   49.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AgSe
_chemical_formula_sum   'Mg2 Ag1 Se1'
_cell_volume   86.51
_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  0.0  1.0
  Mg  Mg2  1  0.91  0.0  0.96  1.0
  Ag  Ag0  1  0.0  0.91  0.96  1.0
  Se  Se3  1  0.0  0.0  0.92  1.0

data_Mg2AgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   6.51
_cell_angle_alpha   107.09
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AgSe
_chemical_formula_sum   'Mg2 Ag1 Se1'
_cell_volume   86.51
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.04  0.0  0.95  1.0
  Ag  Ag2  1  0.95  0.91  0.95  1.0
  Se  Se3  1  0.08  0.0  0.08  1.0

Mg Mg Ag Se
Mg Mg Ag Se 0 1 - o - 0 2 o - - 0 3 o o - 