data_ZrMnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   18.6
_cell_angle_beta   18.6
_cell_angle_gamma   18.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnMo2
_chemical_formula_sum   'Zr1 Mn1 Mo2'
_cell_volume   65.77
_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
  Zr  Zr3  1  0.0  0.0  0.33  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.67  1.0
  Mo  Mo2  1  0.0  0.0  0.98  1.0

data_ZrMnMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   2.92
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMnMo2
_chemical_formula_sum   'Zr2 Mn2 Mo4'
_cell_volume   131.53
_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
  Zr  Zr0  2  0.0  0.0  0.67  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.02  1.0
  Mo  Mo3  2  0.0  0.0  0.33  1.0

Zr Mn Mo Mo