data_YMgMnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   119.84
_cell_angle_beta   118.59
_cell_angle_gamma   91.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgMnS4
_chemical_formula_sum   'Y2 Mg2 Mn2 S8'
_cell_volume   309.64
_cell_formula_units_Z   2
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  Y0  1  0.0  0.86  0.0  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.79  0.93  0.67  1.0
  Mg  Mg3  1  0.0  0.93  0.62  1.0
  Mn  Mn4  1  0.1  0.93  0.64  1.0
  Mn  Mn5  1  0.9  0.93  0.64  1.0
  S  S6  1  0.0  0.24  0.7  1.0
  S  S7  1  0.9  0.93  0.07  1.0
  S  S8  1  0.89  0.79  0.78  1.0
  S  S9  1  0.79  0.24  0.58  1.0
  S  S10  1  0.9  0.07  0.5  1.0
  S  S11  1  0.0  0.63  0.7  1.0
  S  S12  1  0.79  0.63  0.58  1.0
  S  S13  1  0.89  0.93  0.22  1.0

data_YMgMnS4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   91.37
_cell_angle_beta   118.59
_cell_angle_gamma   119.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgMnS4
_chemical_formula_sum   'Y2 Mg2 Mn2 S8'
_cell_volume   309.64
_cell_formula_units_Z   2
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  Y0  1  -0.0  0.0  0.14  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.62  0.62  0.69  1.0
  Mg  Mg3  1  0.67  0.87  0.73  1.0
  Mn  Mn4  1  0.64  0.54  0.71  1.0
  Mn  Mn5  1  0.64  0.75  0.71  1.0
  S  S6  1  0.07  0.17  0.14  1.0
  S  S7  1  0.22  0.32  0.29  1.0
  S  S8  1  0.5  0.6  0.43  1.0
  S  S9  1  0.58  0.79  0.34  1.0
  S  S10  1  0.58  0.79  0.95  1.0
  S  S11  1  0.7  0.7  0.08  1.0
  S  S12  1  0.7  0.7  0.47  1.0
  S  S13  1  0.78  0.89  0.99  1.0

Y Y Mg Mg Mn Mn S S S S S S S S