data_MgMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2Cl
_chemical_formula_sum   'Mg1 Mo2 Cl1'
_cell_volume   66.91
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.56  0.0  0.4  1.0
  Mo  Mo3  1  0.56  0.0  0.68  1.0
  Cl  Cl0  1  0.0  0.0  0.54  1.0

data_MgMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2Cl
_chemical_formula_sum   'Mg1 Mo2 Cl1'
_cell_volume   66.91
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.56  0.0  0.4  1.0
  Mo  Mo2  1  0.56  0.0  0.68  1.0
  Cl  Cl3  1  0.0  0.0  0.54  1.0

Mg Mo Mo Cl