data_Zr2ZnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   142.99
_cell_angle_beta   142.99
_cell_angle_gamma   53.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnMo2
_chemical_formula_sum   'Zr2 Zn1 Mo2'
_cell_volume   107.13
_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  0.12  0.98  1.0
  Zr  Zr4  1  0.12  0.0  0.98  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.1  1.0
  Mo  Mo1  1  0.0  0.0  0.83  1.0

data_Zr2ZnMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   116.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2ZnMo2
_chemical_formula_sum   'Zr4 Zn2 Mo4'
_cell_volume   214.26
_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  4  0.06  0.06  0.14  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.17  1.0
  Mo  Mo3  2  0.0  0.0  0.9  1.0

Zr Zr Zn Mo Mo