data_ZrTaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   139.52
_cell_angle_beta   139.52
_cell_angle_gamma   58.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaMo2
_chemical_formula_sum   'Zr1 Ta1 Mo2'
_cell_volume   72.49
_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  0.0  1.0
  Ta  Ta2  1  0.0  0.93  0.43  1.0
  Mo  Mo0  1  0.93  0.0  0.43  1.0
  Mo  Mo1  1  0.0  0.0  0.87  1.0

data_ZrTaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.58
_cell_angle_alpha   110.24
_cell_angle_beta   110.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaMo2
_chemical_formula_sum   'Zr1 Ta1 Mo2'
_cell_volume   72.49
_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  0.0  1.0
  Ta  Ta1  1  0.5  0.43  0.5  1.0
  Mo  Mo2  1  0.43  0.5  0.5  1.0
  Mo  Mo3  1  0.87  0.87  0.87  1.0

Zr Ta Mo Mo