data_[Mg4Sn4As2P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.1310]
_cell_length_b [5.9675]
_cell_length_c [5.9964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Mg2Sn2AsP3]
_chemical_formula_sum '[Mg4 Sn4 As2 P6]'
_cell_volume [418.9912]
_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  0.1289  0.1314  0.8714  1
  Sn  Sn1  4  0.1262  0.6194  0.3810  1
  As  As2  2  0.0000  0.8786  0.0000  1
  P  P3  4  0.2499  0.3732  0.2536  1
  P  P4  2  0.0000  0.3733  0.5000  1
]