data_Cd2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.4
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   105.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoSe
_chemical_formula_sum   'Cd2 Mo1 Se1'
_cell_volume   80.06
_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  0.58  0.2  0.46  1.0
  Cd  Cd1  1  0.89  0.0  0.53  1.0
  Mo  Mo2  1  0.25  0.2  0.83  1.0
  Se  Se3  1  0.24  0.0  0.01  1.0

data_Cd2MoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.4
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   105.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoSe
_chemical_formula_sum   'Cd2 Mo1 Se1'
_cell_volume   80.06
_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  0.58  0.2  0.46  1.0
  Cd  Cd1  1  0.89  0.0  0.53  1.0
  Mo  Mo2  1  0.25  0.2  0.83  1.0
  Se  Se3  1  0.24  0.0  0.01  1.0

Cd Cd Mo Se