data_LaCr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.91
_cell_angle_alpha   109.88
_cell_angle_beta   109.88
_cell_angle_gamma   57.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Se
_chemical_formula_sum   'La1 Cr2 Se1'
_cell_volume   75.76
_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
  La  La2  1  0.39  0.0  0.7  1.0
  Cr  Cr0  1  0.02  0.0  0.13  1.0
  Cr  Cr1  1  0.73  0.0  0.55  1.0
  Se  Se3  1  0.06  0.0  0.78  1.0

data_LaCr2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.05
_cell_length_c   5.91
_cell_angle_alpha   109.88
_cell_angle_beta   90.0
_cell_angle_gamma   118.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Se
_chemical_formula_sum   'La1 Cr2 Se1'
_cell_volume   75.76
_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
  La  La0  1  0.0  0.61  0.3  1.0
  Cr  Cr1  1  0.0  0.27  0.45  1.0
  Cr  Cr2  1  0.0  0.98  0.87  1.0
  Se  Se3  1  0.0  0.94  0.22  1.0

La Cr Cr Se
La Cr Cr Se 0 3 o o o 0 2 o o o 1 3 o o - 2 3 + o o 