data_Cr5Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Se
_chemical_formula_sum   'Cr5 Se1'
_cell_volume   72.53
_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  0.47  0.1  0.0  1.0
  Cr  Cr1  1  0.47  0.9  0.0  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.47  0.93  0.99  1.0
  Cr  Cr4  1  0.47  0.07  0.99  1.0
  Se  Se5  1  0.47  0.0  0.99  1.0

data_Cr5Se
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   3.98
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr5Se
_chemical_formula_sum   'Cr5 Se1'
_cell_volume   72.53
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.07  0.0  0.54  1.0
  Cr  Cr2  1  0.1  0.0  0.57  1.0
  Cr  Cr3  1  0.9  0.0  0.37  1.0
  Cr  Cr4  1  0.93  0.0  0.4  1.0
  Se  Se5  1  0.0  0.0  0.47  1.0

Cr Cr Cr Cr Cr Se