data_[Ba2Ca2Zn2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.4297]
_cell_length_b [5.1575]
_cell_length_c [7.9713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BaCaZnP2]
_chemical_formula_sum '[Ba2 Ca2 Zn2 P4]'
_cell_volume [296.8121]
_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  0.5000  0.2146  0.7500  1.0
  Ca  Ca1  2  0.0000  0.4748  0.2500  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.2433  0.2661  0.0401  1.0
]