data_CoNiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   3.75
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiMo2
_chemical_formula_sum   'Co1 Ni1 Mo2'
_cell_volume   52.56
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.64  1.0
  Mo  Mo1  1  0.33  0.87  0.3  1.0
  Mo  Mo2  1  0.33  0.87  0.99  1.0

data_CoNiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   3.75
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiMo2
_chemical_formula_sum   'Co1 Ni1 Mo2'
_cell_volume   52.56
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.64  1.0
  Mo  Mo2  1  0.33  0.87  0.3  1.0
  Mo  Mo3  1  0.33  0.87  0.99  1.0

Co Ni Mo Mo
Co Ni Mo Mo 0 3 o - - 0 1 o o - 0 2 o - o 1 2 o - o 1 3 o - o 2 3 o o - 