data_[Mg4P2]
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 [P-1]
_cell_length_a [4.1357]
_cell_length_b [4.1473]
_cell_length_c [9.3836]
_cell_angle_alpha [88.6080]
_cell_angle_beta [89.0607]
_cell_angle_gamma [60.4747]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg2P]
_chemical_formula_sum '[Mg4 P2]'
_cell_volume [140.0037]
_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  2  0.1693  0.6741  0.9009  1
  Mg  Mg1  2  0.4967  0.9766  0.3468  1
  P  P2  2  0.1636  0.6568  0.1890  1
]