data_Cr2CuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuSe
_chemical_formula_sum   'Cr2 Cu1 Se1'
_cell_volume   61.97
_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  0.52  0.41  0.6  1.0
  Cr  Cr1  1  0.52  0.59  0.6  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.04  0.0  0.0  1.0

data_Cr2CuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   92.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuSe
_chemical_formula_sum   'Cr2 Cu1 Se1'
_cell_volume   61.97
_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  0.6  0.52  0.41  1.0
  Cr  Cr1  1  0.6  0.52  0.59  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.04  0.0  1.0

Cr Cr Cu Se
Cr Cr Cu Se 0 1 o o o 2 3 o o o 