data_LaInSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   142.59
_cell_angle_beta   142.59
_cell_angle_gamma   53.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaInSe
_chemical_formula_sum   'La1 In1 Se1'
_cell_volume   96.23
_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  0.0  0.0  0.07  1.0
  In  In0  1  0.0  0.0  0.23  1.0
  Se  Se2  1  0.0  0.0  0.11  1.0

data_LaInSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   116.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaInSe
_chemical_formula_sum   'La2 In2 Se2'
_cell_volume   192.46
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.07  0.0  0.07  1.0
  In  In1  2  0.23  0.0  0.23  1.0
  Se  Se2  2  0.11  0.0  0.11  1.0

La In Se