data_[Mg4P4W12]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.0064]
_cell_length_b [4.1343]
_cell_length_c [31.1848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgPW3]
_chemical_formula_sum '[Mg4 P4 W12]'
_cell_volume [387.6098]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.3774  1
  Mg  Mg1  2  0.0000  0.0000  0.6316  1
  P  P2  2  0.5000  0.0000  0.2199  1
  P  P3  2  0.5000  0.0000  0.7891  1
  W  W4  2  0.0000  0.0000  0.0251  1
  W  W5  2  0.0000  0.0000  0.2850  1
  W  W6  2  0.0000  0.0000  0.7242  1
  W  W7  2  0.0000  0.0000  0.9438  1
  W  W8  2  0.5000  0.0000  0.4691  1
  W  W9  2  0.5000  0.0000  0.5519  1
]