data_[Ba4Ni4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1671]
_cell_length_b [7.3611]
_cell_length_c [7.4048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaNiP]
_chemical_formula_sum '[Ba4 Ni4 P4]'
_cell_volume [269.8067]
_cell_formula_units_Z [4]
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  0.3732  0.5124  0.6849  1.0
  Ni  Ni1  4  0.0009  0.6195  0.8830  1.0
  P  P2  4  0.0328  0.1734  0.3416  1.0
]