data_[Ca8P4Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.2020]
_cell_length_b [3.9077]
_cell_length_c [8.0357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca4P2Cl5]
_chemical_formula_sum '[Ca8 P4 Cl10]'
_cell_volume [695.1548]
_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  4  0.0156  0.0000  0.2623  1.0
  Ca  Ca1  4  0.1709  0.5000  0.4246  1.0
  P  P2  4  0.0473  0.5000  0.5435  1.0
  Cl  Cl3  4  0.1360  0.0000  0.2006  1.0
  Cl  Cl4  4  0.2084  0.0000  0.6478  1.0
  Cl  Cl5  2  0.0000  0.5000  0.0000  1.0
]