data_YMn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Cl
_chemical_formula_sum   'Y1 Mn2 Cl1'
_cell_volume   75.61
_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
  Y  Y3  1  0.15  0.0  0.16  1.0
  Mn  Mn1  1  0.15  0.0  0.12  1.0
  Mn  Mn2  1  0.0  0.0  0.27  1.0
  Cl  Cl0  1  0.0  0.0  0.37  1.0

data_YMn2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YMn2Cl
_chemical_formula_sum   'Y1 Mn2 Cl1'
_cell_volume   75.65
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  1  0.15  0.0  0.16  1.0
  Mn  Mn1  1  0.0  0.0  0.27  1.0
  Mn  Mn2  1  0.15  0.0  0.12  1.0
  Cl  Cl3  1  0.0  0.0  0.37  1.0

Y Mn Mn Cl
Y Mn Mn Cl 0 1 o o o 2 3 o o o 