data_La2MnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.74
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   92.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnSe
_chemical_formula_sum   'La2 Mn1 Se1'
_cell_volume   105.59
_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  0.7  0.87  0.63  1.0
  La  La1  1  0.72  0.87  0.9  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.83  0.0  0.76  1.0

data_La2MnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.75
_cell_length_c   7.54
_cell_angle_alpha   92.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnSe
_chemical_formula_sum   'La2 Mn1 Se1'
_cell_volume   105.59
_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  0.13  0.28  0.1  1.0
  La  La1  1  0.13  0.3  0.37  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.17  0.24  1.0

La La Mn Se