data_[Gd1V2P1C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4054]
_cell_length_b [3.4054]
_cell_length_c [9.4290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [GdV2PC4]
_chemical_formula_sum '[Gd1 V2 P1 C4]'
_cell_volume [94.6948]
_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
[
  Gd  Gd0  1  0.0000  0.0000  0.0000  1
  V  V1  2  0.3333  0.6667  0.7146  1
  P  P2  1  0.0000  0.0000  0.5000  1
  C  C3  2  0.3333  0.6667  0.1680  1
  C  C4  2  0.3333  0.6667  0.3211  1
]