data_Cr2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   131.68
_cell_angle_beta   113.91
_cell_angle_gamma   85.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SbSe
_chemical_formula_sum   'Cr2 Sb1 Se1'
_cell_volume   77.55
_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  0.68  0.94  1.0
  Cr  Cr1  1  0.01  0.0  0.65  1.0
  Sb  Sb2  1  0.0  0.0  0.6  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cr2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   66.09
_cell_angle_beta   65.84
_cell_angle_gamma   65.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SbSe
_chemical_formula_sum   'Cr2 Sb1 Se1'
_cell_volume   77.55
_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  0.99  0.65  1.0
  Cr  Cr1  1  0.68  0.0  0.26  1.0
  Sb  Sb2  1  0.0  -0.0  0.6  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cr Cr Sb Se
Cr Cr Sb Se 0 3 o + + 1 2 o o o 