data_[Ba4Ge2As2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8226]
_cell_length_b [4.6772]
_cell_length_c [8.8388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2GeAsP]
_chemical_formula_sum '[Ba4 Ge2 As2 P2]'
_cell_volume [323.3239]
_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  2  0.2430  0.2500  0.5007  1.0
  Ba  Ba1  2  0.2435  0.2500  0.9919  1.0
  Ge  Ge2  2  0.4206  0.7500  0.2335  1.0
  As  As3  2  0.1074  0.7500  0.2515  1.0
  P  P4  2  0.4576  0.7500  0.7398  1.0
]