data_[Re1Ni2Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.5894]
_cell_length_b [4.1727]
_cell_length_c [4.8809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReNi2Mo]
_chemical_formula_sum '[Re1 Ni2 Mo1]'
_cell_volume [52.1938]
_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  0.5175  0.0000  0.5368  1.0
  Ni  Ni1  1  0.0984  0.5000  0.7410  1.0
  Ni  Ni2  1  0.1533  0.0000  0.0032  1.0
  Mo  Mo3  1  0.7307  0.5000  0.2189  1.0
]