data_[Ce1Ag2Ge1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4622]
_cell_length_b [5.4888]
_cell_length_c [6.8729]
_cell_angle_alpha [112.5454]
_cell_angle_beta [113.3338]
_cell_angle_gamma [90.8402]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CeAg2GeS4]
_chemical_formula_sum '[Ce1 Ag2 Ge1 S4]'
_cell_volume [171.3428]
_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
[
  Ce  Ce0  1  0.0614  0.8315  0.9477  1.0
  Ag  Ag1  1  0.5644  0.2897  0.9128  1.0
  Ag  Ag2  1  0.8045  0.0196  0.3984  1.0
  Ge  Ge3  1  0.3304  0.5401  0.4350  1.0
  S  S4  1  0.0911  0.3423  0.9839  1.0
  S  S5  1  0.3042  0.0924  0.4273  1.0
  S  S6  1  0.5535  0.8067  0.9250  1.0
  S  S7  1  0.7906  0.5776  0.4700  1.0
]