data_[Ca2Dy1Er1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7964]
_cell_length_b [3.9274]
_cell_length_c [6.9106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2DyErS4]
_chemical_formula_sum '[Ca2 Dy1 Er1 S4]'
_cell_volume [174.2259]
_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
  Dy  Dy2  1  0.5000  0.5000  0.0000  1
  Er  Er3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2459  0.5000  0.2424  1
  S  S5  2  0.2500  0.0000  0.7562  1
]