data_Zr2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   39.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbSe
_chemical_formula_sum   'Zr2 Sb1 Se1'
_cell_volume   93.53
_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  Zr2  1  0.57  0.0  0.62  1.0
  Zr  Zr3  1  0.0  0.0  0.71  1.0
  Sb  Sb0  1  0.57  0.0  0.32  1.0
  Se  Se1  1  0.0  0.0  0.62  1.0

data_Zr2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.14
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   109.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbSe
_chemical_formula_sum   'Zr2 Sb1 Se1'
_cell_volume   93.53
_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  0.29  0.0  0.29  1.0
  Zr  Zr1  1  0.38  0.57  0.38  1.0
  Sb  Sb2  1  0.68  0.57  0.68  1.0
  Se  Se3  1  0.38  0.0  0.38  1.0

Zr Zr Sb Se
Zr Zr Sb Se 0 2 o o o 1 3 o o o 