data_ZnCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   135.85
_cell_angle_beta   135.85
_cell_angle_gamma   64.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoMo2
_chemical_formula_sum   'Zn1 Co1 Mo2'
_cell_volume   55.71
_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
  Zn  Zn3  1  0.0  0.0  0.14  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.83  0.0  0.07  1.0
  Mo  Mo2  1  0.0  0.83  0.07  1.0

data_ZnCoMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   122.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCoMo2
_chemical_formula_sum   'Zn2 Co2 Mo4'
_cell_volume   111.41
_cell_formula_units_Z   2
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
  Zn  Zn0  2  0.36  0.5  0.86  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  4  0.35  0.42  0.77  1.0

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