data_YMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   143.72
_cell_angle_beta   143.72
_cell_angle_gamma   52.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMoCl2
_chemical_formula_sum   'Y1 Mo1 Cl2'
_cell_volume   83.16
_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
  Y  Y3  1  0.0  0.0  0.57  1.0
  Mo  Mo2  1  0.93  0.0  0.79  1.0
  Cl  Cl0  1  0.0  0.93  0.79  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_YMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.2
_cell_angle_alpha   108.14
_cell_angle_beta   108.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMoCl2
_chemical_formula_sum   'Y1 Mo1 Cl2'
_cell_volume   83.16
_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
  Y  Y0  1  0.43  0.0  0.43  1.0
  Mo  Mo1  1  0.21  0.0  0.15  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.15  0.93  0.15  1.0

Y Mo Cl Cl