data_Sr2MgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   5.5
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgSe
_chemical_formula_sum   'Sr2 Mg1 Se1'
_cell_volume   131.52
_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
  Sr  Sr2  1  0.53  0.0  0.06  1.0
  Sr  Sr3  1  0.54  0.75  0.08  1.0
  Mg  Mg0  1  0.52  0.0  0.18  1.0
  Se  Se1  1  0.41  0.75  0.32  1.0

data_Sr2MgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.5
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgSe
_chemical_formula_sum   'Sr2 Mg1 Se1'
_cell_volume   131.52
_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
  Sr  Sr0  1  0.53  0.0  0.06  1.0
  Sr  Sr1  1  0.54  0.75  0.08  1.0
  Mg  Mg2  1  0.52  0.0  0.18  1.0
  Se  Se3  1  0.41  0.75  0.32  1.0

Sr Sr Mg Se