data_[Ca4Zn2As2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  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 [7.2643]
_cell_length_b [4.0767]
_cell_length_c [8.6744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2ZnAsP]
_chemical_formula_sum '[Ca4 Zn2 As2 P2]'
_cell_volume [249.0590]
_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
[
  Ca  Ca0  2  0.1724  0.7500  0.3934  1
  Ca  Ca1  2  0.2051  0.7500  0.9461  1
  Zn  Zn2  2  0.4907  0.7500  0.7216  1
  As  As3  2  0.2821  0.2500  0.6787  1
  P  P4  2  0.1893  0.2500  0.1710  1
]