data_[Ca1Dy1Tm2Se4]
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
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0535]
_cell_length_b [4.0443]
_cell_length_c [7.0659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaDy(TmSe2)2]
_chemical_formula_sum '[Ca1 Dy1 Tm2 Se4]'
_cell_volume [190.4833]
_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  0.0000  0.0000  1.0
  Dy  Dy1  1  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  1  0.5000  0.0000  0.5000  1.0
  Tm  Tm3  1  0.5000  0.5000  0.0000  1.0
  Se  Se4  2  0.2556  0.0000  0.7519  1.0
  Se  Se5  2  0.2568  0.5000  0.2531  1.0
]