data_[Mg3Mn3In12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1089]
_cell_length_b [8.1089]
_cell_length_c [19.6306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgMn(InSe2)4]
_chemical_formula_sum '[Mg3 Mn3 In12 Se24]'
_cell_volume [1117.8694]
_cell_formula_units_Z [3]
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
[
  Mg  Mg0  3  0.0000  0.0000  0.3802  1.0
  Mn  Mn1  3  0.0000  0.0000  0.0042  1.0
  In  In2  9  0.1712  0.3424  0.8318  1.0
  In  In3  3  0.0000  0.0000  0.6193  1.0
  Se  Se4  9  0.0237  0.5118  0.7499  1.0
  Se  Se5  9  0.1833  0.3666  0.5831  1.0
  Se  Se6  3  0.0000  0.0000  0.2454  1.0
  Se  Se7  3  0.0000  0.0000  0.7567  1.0
]