data_LaCrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.06
_cell_length_c   3.28
_cell_angle_alpha   74.65
_cell_angle_beta   74.02
_cell_angle_gamma   31.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrSe
_chemical_formula_sum   'La1 Cr1 Se1'
_cell_volume   60.16
_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  La1  1  0.29  0.34  0.38  1.0
  Cr  Cr0  1  0.29  0.34  0.83  1.0
  Se  Se2  1  0.29  0.34  0.21  1.0

data_LaCrSe
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.28
_cell_length_b   11.21
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   LaCrSe
_chemical_formula_sum   'La2 Cr2 Se2'
_cell_volume   120.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.72  1.0
  Cr  Cr1  2  0.0  0.5  0.18  1.0
  Se  Se2  2  0.0  0.5  0.55  1.0

La Cr Se