data_Cr2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   139.6
_cell_angle_beta   139.6
_cell_angle_gamma   58.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AuSe
_chemical_formula_sum   'Cr2 Au1 Se1'
_cell_volume   71.38
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.92  0.0  0.42  1.0
  Au  Au0  1  0.0  0.92  0.42  1.0
  Se  Se3  1  0.0  0.0  0.85  1.0

data_Cr2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.56
_cell_angle_alpha   110.2
_cell_angle_beta   110.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AuSe
_chemical_formula_sum   'Cr2 Au1 Se1'
_cell_volume   71.38
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.42  0.51  0.51  1.0
  Au  Au2  1  0.51  0.42  0.51  1.0
  Se  Se3  1  0.85  0.85  0.85  1.0

Cr Cr Au Se