data_[Mg8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.8180]
_cell_length_b [7.2552]
_cell_length_c [9.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [MgP]
_chemical_formula_sum '[Mg8 P8]'
_cell_volume [331.7064]
_cell_formula_units_Z [8]
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  0.0988  0.1167  0.0161  1
  Mg  Mg1  4  0.1662  0.6532  0.7941  1
  P  P2  4  0.1004  0.4784  0.0324  1
  P  P3  4  0.1726  0.0069  0.2731  1
]