data_Mg2ZrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   4.41
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrSe
_chemical_formula_sum   'Mg2 Zr1 Se1'
_cell_volume   86.04
_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  0.31  0.2  0.12  1.0
  Mg  Mg1  1  0.09  0.2  0.35  1.0
  Zr  Zr3  1  0.42  0.0  0.74  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Mg2ZrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.41
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrSe
_chemical_formula_sum   'Mg2 Zr1 Se1'
_cell_volume   86.04
_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  0.09  0.2  0.35  1.0
  Mg  Mg1  1  0.31  0.2  0.12  1.0
  Zr  Zr2  1  0.42  0.0  0.74  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Mg Mg Zr Se