data_[Cu1Ni1P1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8075]
_cell_length_b [3.8851]
_cell_length_c [3.9208]
_cell_angle_alpha [74.2595]
_cell_angle_beta [88.8900]
_cell_angle_gamma [63.9564]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuNiPC]
_chemical_formula_sum '[Cu1 Ni1 P1 C1]'
_cell_volume [49.8199]
_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
[
  Cu  Cu0  1  0.7030  0.2336  0.9574  1
  Ni  Ni1  1  0.7222  0.8353  0.5672  1
  P  P2  1  0.0659  0.2400  0.4454  1
  C  C3  1  0.8026  0.6617  0.0904  1
]