data_[Mn2Ga2S5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6911]
_cell_length_b [3.6911]
_cell_length_c [15.8279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Mn2Ga2S5]
_chemical_formula_sum '[Mn2 Ga2 S5]'
_cell_volume [186.7512]
_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
[
  Mn  Mn0  2  0.3333  0.6667  0.4068  1.0
  Ga  Ga1  2  0.3333  0.6667  0.8178  1.0
  S  S2  2  0.3333  0.6667  0.1175  1.0
  S  S3  2  0.3333  0.6667  0.6765  1.0
  S  S4  1  0.0000  0.0000  0.5000  1.0
]