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 [P4/m]
_cell_length_a [10.5804]
_cell_length_b [10.5804]
_cell_length_c [3.4102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [MgP]
_chemical_formula_sum '[Mg8 P8]'
_cell_volume [381.7544]
_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  0.0843  0.6298  0.0000  1
  Mg  Mg1  4  0.3004  0.4956  0.5000  1
  P  P2  4  0.1568  0.3705  0.0000  1
  P  P3  4  0.2478  0.7342  0.5000  1
]