data_[Ce2Mn2In2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3560]
_cell_length_b [4.2263]
_cell_length_c [9.7662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeMnInS3]
_chemical_formula_sum '[Ce2 Mn2 In2 S6]'
_cell_volume [299.9570]
_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
[
  Ce  Ce0  2  0.2626  0.2500  0.0824  1
  Mn  Mn1  2  0.4612  0.7500  0.3784  1
  In  In2  2  0.1101  0.7500  0.6628  1
  S  S3  2  0.0198  0.7500  0.1570  1
  S  S4  2  0.3068  0.2500  0.4089  1
  S  S5  2  0.4652  0.2500  0.8467  1
]