data_[Mg6Ni12P10]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.6629]
_cell_length_b [11.5105]
_cell_length_c [8.8907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Mg3Ni6P5]
_chemical_formula_sum '[Mg6 Ni12 P10]'
_cell_volume [374.8472]
_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  0.3425  0.7602  1
  Mg  Mg1  2  0.0000  0.0000  0.7403  1
  Ni  Ni2  4  0.0000  0.1689  0.9925  1
  Ni  Ni3  4  0.0000  0.3037  0.4054  1
  Ni  Ni4  2  0.0000  0.5000  0.0279  1
  Ni  Ni5  2  0.0000  0.5000  0.5216  1
  P  P6  4  0.0000  0.1182  0.4686  1
  P  P7  4  0.0000  0.3279  0.1559  1
  P  P8  2  0.0000  0.0000  0.1279  1
]