data_[Ca2Pr2Ag2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8768]
_cell_length_b [4.0128]
_cell_length_c [9.3132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaPrAgS3]
_chemical_formula_sum '[Ca2 Pr2 Ag2 S6]'
_cell_volume [288.1796]
_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  0.2799  0.7500  0.2284  1
  Pr  Pr1  2  0.1888  0.2500  0.6636  1
  Ag  Ag2  2  0.4016  0.7500  0.9150  1
  S  S3  2  0.0768  0.2500  0.3473  1
  S  S4  2  0.2287  0.2500  0.9845  1
  S  S5  2  0.4435  0.7500  0.6542  1
]