data_ZrCd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.41
_cell_angle_alpha   108.25
_cell_angle_beta   108.25
_cell_angle_gamma   40.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Se
_chemical_formula_sum   'Zr1 Cd2 Se1'
_cell_volume   88.88
_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  0.89  0.0  0.8  1.0
  Cd  Cd0  1  0.26  0.0  0.92  1.0
  Cd  Cd1  1  0.94  0.0  0.06  1.0
  Se  Se2  1  0.06  0.0  0.97  1.0

data_ZrCd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.2
_cell_length_c   5.41
_cell_angle_alpha   108.25
_cell_angle_beta   90.0
_cell_angle_gamma   110.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Se
_chemical_formula_sum   'Zr1 Cd2 Se1'
_cell_volume   88.88
_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  0.0  0.11  0.2  1.0
  Cd  Cd1  1  0.0  0.06  0.94  1.0
  Cd  Cd2  1  0.0  0.74  0.08  1.0
  Se  Se3  1  0.0  0.94  0.03  1.0

Zr Cd Cd Se