data_Re2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.33
_cell_angle_alpha   91.65
_cell_angle_beta   91.65
_cell_angle_gamma   33.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoP
_chemical_formula_sum   'Re2 Mo1 P1'
_cell_volume   60.53
_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  Re2  1  0.41  0.0  0.12  1.0
  Re  Re3  1  0.03  0.0  0.21  1.0
  Mo  Mo0  1  0.72  0.0  0.17  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Re2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.33
_cell_length_c   5.0
_cell_angle_alpha   91.65
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoP
_chemical_formula_sum   'Re2 Mo1 P1'
_cell_volume   60.53
_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  0.12  0.41  1.0
  Re  Re1  1  0.0  0.21  0.03  1.0
  Mo  Mo2  1  0.0  0.17  0.72  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Re Re Mo P