data_ZrBi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.83
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   109.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Se
_chemical_formula_sum   'Zr1 Bi2 Se1'
_cell_volume   106.03
_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  0.31  0.42  0.02  1.0
  Bi  Bi0  1  0.27  0.0  0.1  1.0
  Bi  Bi1  1  0.33  0.42  0.68  1.0
  Se  Se2  1  0.32  0.0  0.68  1.0

data_ZrBi2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.83
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   109.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Se
_chemical_formula_sum   'Zr1 Bi2 Se1'
_cell_volume   106.03
_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  0.31  0.42  0.02  1.0
  Bi  Bi1  1  0.27  0.0  0.1  1.0
  Bi  Bi2  1  0.33  0.42  0.68  1.0
  Se  Se3  1  0.32  0.0  0.68  1.0

Zr Bi Bi Se