data_[Mg4Ni12P2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [Pmmn]
_cell_length_a [5.1533]
_cell_length_b [7.7617]
_cell_length_c [6.2178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Mg2Ni6PC]
_chemical_formula_sum '[Mg4 Ni12 P2 C2]'
_cell_volume [248.7014]
_cell_formula_units_Z [2]
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
[
  Mg  Mg0  4  0.0000  0.2121  0.2871  1.0
  Ni  Ni1  4  0.0000  0.2408  0.8369  1.0
  Ni  Ni2  4  0.2350  0.5000  0.9944  1.0
  Ni  Ni3  4  0.2442  0.5000  0.4064  1.0
  P  P4  2  0.0000  0.5000  0.6912  1.0
  C  C5  2  0.0000  0.0000  0.8030  1.0
]