data_[Ba4La2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9293]
_cell_length_b [4.1621]
_cell_length_c [8.8836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2LaP]
_chemical_formula_sum '[Ba4 La2 P2]'
_cell_volume [351.1505]
_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  0.0974  0.0000  0.0734  1
  Ba  Ba1  2  0.2569  0.0000  0.6764  1
  La  La2  2  0.4283  0.0000  0.3750  1
  P  P3  2  0.2174  0.5000  0.3752  1
]