data_[Mg4In6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5164]
_cell_length_b [7.1263]
_cell_length_c [18.8685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Mg2(InP)3]
_chemical_formula_sum '[Mg4 In6 P6]'
_cell_volume [1279.5988]
_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  0.2487  0.6904  0.0762  1
  In  In1  4  0.1604  0.0709  0.1025  1
  In  In2  2  0.0000  0.3380  0.0000  1
  P  P3  4  0.1871  0.8575  0.9545  1
  P  P4  2  0.0000  0.7168  0.0000  1
]