data_Sr2ZrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.77
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   107.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrSe
_chemical_formula_sum   'Sr2 Zr1 Se1'
_cell_volume   132.49
_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  Sr1  1  0.15  0.38  0.03  1.0
  Sr  Sr2  1  0.47  0.0  0.14  1.0
  Zr  Zr3  1  0.33  0.38  0.34  1.0
  Se  Se0  1  0.32  0.0  0.66  1.0

data_Sr2ZrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.77
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   107.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrSe
_chemical_formula_sum   'Sr2 Zr1 Se1'
_cell_volume   132.49
_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  0.15  0.38  0.03  1.0
  Sr  Sr1  1  0.47  0.0  0.14  1.0
  Zr  Zr2  1  0.33  0.38  0.34  1.0
  Se  Se3  1  0.32  0.0  0.66  1.0

Sr Sr Zr Se