data_[Cs2Cr2P4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.6752]
_cell_length_b [9.7434]
_cell_length_c [7.1471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCrP2S7]
_chemical_formula_sum '[Cs2 Cr2 P4 S14]'
_cell_volume [600.0105]
_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
[
  Cs  Cs0  2  0.0000  0.8979  0.0000  1.0
  Cr  Cr1  2  0.0000  0.4866  0.5000  1.0
  P  P2  4  0.2012  0.1403  0.5687  1.0
  S  S3  4  0.1441  0.3150  0.6986  1.0
  S  S4  4  0.1628  0.5164  0.2505  1.0
  S  S5  4  0.1770  0.6550  0.6570  1.0
  S  S6  2  0.0000  0.0120  0.5000  1.0
]