data_[Ca2Ce1Y1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8996]
_cell_length_b [3.9806]
_cell_length_c [7.0126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2CeYS4]
_chemical_formula_sum '[Ca2 Ce1 Y1 S4]'
_cell_volume [181.9931]
_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
[
  Ca  Ca0  1  0.0000  0.5000  0.5000  1
  Ca  Ca1  1  0.5000  0.0000  0.5000  1
  Ce  Ce2  1  0.5000  0.5000  0.0000  1
  Y  Y3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2434  0.0000  0.7471  1
  S  S5  2  0.2441  0.5000  0.2480  1
]