data_CeHSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeHSe
_chemical_formula_sum   'Ce2 H2 Se2'
_cell_volume   109.72
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.0  0.31  0.93  1.0
  Ce  Ce1  1  0.0  0.16  0.98  1.0
  H  H2  1  0.0  0.31  0.98  1.0
  H  H3  1  0.0  0.16  0.93  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0
  Se  Se5  1  0.0  0.0  0.95  1.0

data_CeHSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   6.93
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CeHSe
_chemical_formula_sum   'Ce4 H4 Se4'
_cell_volume   219.43
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ce  Ce0  2  0.15  0.0  0.98  1.0
  Ce  Ce1  2  0.31  0.0  0.93  1.0
  H  H2  2  0.15  0.0  0.93  1.0
  H  H3  2  0.31  0.0  0.98  1.0
  Se  Se4  2  0.0  0.0  0.0  1.0
  Se  Se5  2  0.0  0.0  0.95  1.0

Ce Ce H H Se Se