data_MnZnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   155.83
_cell_angle_beta   155.83
_cell_angle_gamma   34.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnMo
_chemical_formula_sum   'Mn1 Zn1 Mo1'
_cell_volume   42.47
_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
  Mn  Mn0  1  0.0  0.0  0.04  1.0
  Zn  Zn2  1  0.0  0.0  0.99  1.0
  Mo  Mo1  1  0.0  0.0  0.06  1.0

data_MnZnMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnZnMo
_chemical_formula_sum   'Mn2 Zn2 Mo2'
_cell_volume   84.94
_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
  Mn  Mn0  2  0.0  0.0  0.96  1.0
  Zn  Zn1  2  0.0  0.0  0.01  1.0
  Mo  Mo2  2  0.0  0.0  0.94  1.0

Mn Zn Mo