data_[Cu2Rh1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0302]
_cell_length_b [3.9065]
_cell_length_c [6.3406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cu2RhSe4]
_chemical_formula_sum '[Cu2 Rh1 Se4]'
_cell_volume [137.7458]
_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
[
  Cu  Cu0  2  0.3452  0.5000  0.6195  1.0
  Rh  Rh1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.0073  0.5000  0.2567  1.0
  Se  Se3  2  0.4439  0.0000  0.1701  1.0
]