data_[Cs1Ca1Zn1Ge1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9268]
_cell_length_b [4.8832]
_cell_length_c [8.1908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CsCaZnGeP]
_chemical_formula_sum '[Cs1 Ca1 Zn1 Ge1 P1]'
_cell_volume [157.0620]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.6953  1
  Ca  Ca1  1  0.5000  0.0000  0.1387  1
  Zn  Zn2  1  0.5000  0.5000  0.3917  1
  Ge  Ge3  1  0.0000  0.5000  0.1476  1
  P  P4  1  0.5000  0.5000  0.9531  1
]