data_[U1Fe2Mo1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7253]
_cell_length_b [3.7253]
_cell_length_c [7.1034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [UFe2MoP2]
_chemical_formula_sum '[U1 Fe2 Mo1 P2]'
_cell_volume [85.3722]
_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
[
  U  U0  1  0.0000  0.0000  0.0000  1
  Fe  Fe1  2  0.3333  0.6667  0.7676  1
  Mo  Mo2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3333  0.6667  0.2882  1
]