data_LaMn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Cl
_chemical_formula_sum   'La1 Mn2 Cl1'
_cell_volume   95.25
_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  0.24  0.0  0.07  1.0
  Mn  Mn2  1  0.0  0.0  0.58  1.0
  Mn  Mn3  1  0.24  0.0  0.59  1.0
  Cl  Cl0  1  0.0  0.0  0.91  1.0

data_LaMn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Cl
_chemical_formula_sum   'La1 Mn2 Cl1'
_cell_volume   95.25
_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  0.24  0.0  0.07  1.0
  Mn  Mn1  1  0.0  0.0  0.58  1.0
  Mn  Mn2  1  0.24  0.0  0.59  1.0
  Cl  Cl3  1  0.0  0.0  0.91  1.0

La Mn Mn Cl
La Mn Mn Cl 0 3 o o - 1 2 o o o 