data_[Y4Mn4Sn8Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3178]
_cell_length_b [20.0536]
_cell_length_c [14.1125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [YMnSn2Te5]
_chemical_formula_sum '[Y4 Mn4 Sn8 Te20]'
_cell_volume [1221.9790]
_cell_formula_units_Z [4]
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  4  0.0000  0.1912  0.0223  1.0
  Mn  Mn1  4  0.0000  0.4330  0.4230  1.0
  Sn  Sn2  4  0.0000  0.0751  0.3636  1.0
  Sn  Sn3  4  0.0000  0.1705  0.6700  1.0
  Te  Te4  4  0.0000  0.0288  0.0240  1.0
  Te  Te5  4  0.0000  0.3095  0.3634  1.0
  Te  Te6  4  0.0000  0.3173  0.6752  1.0
  Te  Te7  4  0.0000  0.3420  0.0201  1.0
  Te  Te8  4  0.0000  0.4991  0.2624  1.0
]