data_ZrReMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReMo2
_chemical_formula_sum   'Zr1 Re1 Mo2'
_cell_volume   68.63
_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
  Re  Re2  1  0.7  0.0  0.0  1.0
  Mo  Mo0  1  0.35  0.36  0.35  1.0
  Mo  Mo1  1  0.35  0.64  0.35  1.0

data_ZrReMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.4
_cell_length_c   5.44
_cell_angle_alpha   119.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReMo2
_chemical_formula_sum   'Zr1 Re1 Mo2'
_cell_volume   68.63
_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
  Re  Re1  1  0.0  0.0  0.7  1.0
  Mo  Mo2  1  0.35  0.36  0.71  1.0
  Mo  Mo3  1  0.35  0.64  0.99  1.0

Zr Re Mo Mo
Zr Re Mo Mo 0 1 - o o 2 3 o o o 