data_ZrZn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   134.19
_cell_angle_beta   134.19
_cell_angle_gamma   66.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Se
_chemical_formula_sum   'Zr1 Zn2 Se1'
_cell_volume   71.09
_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
  Zr  Zr3  1  0.0  0.02  0.17  1.0
  Zn  Zn1  1  0.02  0.0  0.17  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.0  0.0  0.34  1.0

data_ZrZn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.2
_cell_angle_alpha   112.9
_cell_angle_beta   112.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Se
_chemical_formula_sum   'Zr1 Zn2 Se1'
_cell_volume   71.09
_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
  Zr  Zr0  1  0.15  0.17  0.15  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.17  0.15  0.15  1.0
  Se  Se3  1  0.34  0.34  0.34  1.0

Zr Zn Zn Se
Zr Zn Zn Se 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 