data_CdCo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.58
_cell_angle_alpha   98.87
_cell_angle_beta   98.87
_cell_angle_gamma   40.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Se
_chemical_formula_sum   'Cd1 Co2 Se1'
_cell_volume   68.0
_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
  Cd  Cd0  1  0.43  0.0  0.41  1.0
  Co  Co1  1  0.05  0.0  0.45  1.0
  Co  Co2  1  0.93  0.0  0.26  1.0
  Se  Se3  1  0.55  0.0  0.14  1.0

data_CdCo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.38
_cell_length_c   5.58
_cell_angle_alpha   98.87
_cell_angle_beta   90.0
_cell_angle_gamma   110.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Se
_chemical_formula_sum   'Cd1 Co2 Se1'
_cell_volume   68.0
_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
  Cd  Cd0  1  0.0  0.57  0.59  1.0
  Co  Co1  1  0.0  0.07  0.74  1.0
  Co  Co2  1  0.0  0.95  0.55  1.0
  Se  Se3  1  0.0  0.45  0.86  1.0

Cd Co Co Se