data_[Ba4Sn4As4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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/m]
_cell_length_a [13.0365]
_cell_length_b [4.1168]
_cell_length_c [9.3168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sn2As2P]
_chemical_formula_sum '[Ba4 Sn4 As4 P2]'
_cell_volume [431.5859]
_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
[
  Ba  Ba0  4  0.0518  0.5000  0.3007  1.0
  Sn  Sn1  4  0.2302  0.0000  0.1281  1.0
  As  As2  4  0.1708  0.0000  0.6471  1.0
  P  P3  2  0.0000  0.0000  0.0000  1.0
]