data_[Y4In4Co4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8352]
_cell_length_b [13.8197]
_cell_length_c [10.3532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YInCoS3]
_chemical_formula_sum '[Y4 In4 Co4 S12]'
_cell_volume [548.7256]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0000  0.0000  0.0000  1
  In  In1  4  0.0000  0.2475  0.7500  1
  Co  Co2  4  0.0000  0.4754  0.2500  1
  S  S3  8  0.0000  0.3733  0.0789  1
  S  S4  4  0.0000  0.0666  0.2500  1
]