data_ZrCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoMo2
_chemical_formula_sum   'Zr1 Co1 Mo2'
_cell_volume   65.1
_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  0.61  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.31  0.29  0.36  1.0
  Mo  Mo2  1  0.31  0.71  0.36  1.0

data_ZrCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.22
_cell_length_c   5.28
_cell_angle_alpha   119.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoMo2
_chemical_formula_sum   'Zr1 Co1 Mo2'
_cell_volume   65.1
_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  Zr0  1  0.0  0.0  0.61  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.36  0.29  0.6  1.0
  Mo  Mo3  1  0.36  0.71  0.01  1.0

Zr Co Mo Mo