data_ReMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   144.86
_cell_angle_beta   129.81
_cell_angle_gamma   62.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMo2P
_chemical_formula_sum   'Re1 Mo2 P1'
_cell_volume   57.47
_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
  Re  Re3  1  0.0  0.0  0.34  1.0
  Mo  Mo0  1  0.53  0.0  0.01  1.0
  Mo  Mo1  1  0.0  0.16  0.33  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ReMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.31
_cell_length_c   5.08
_cell_angle_alpha   115.09
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMo2P
_chemical_formula_sum   'Re1 Mo2 P1'
_cell_volume   57.47
_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
  Re  Re0  1  0.0  0.34  0.34  1.0
  Mo  Mo1  1  0.0  0.01  0.48  1.0
  Mo  Mo2  1  0.84  0.17  0.17  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Re Mo Mo P
Re Mo Mo P 0 2 o o o 0 1 - o o 1 2 + o o 2 3 o o o 