data_[Li2Ca6Tm4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6179]
_cell_length_b [13.1840]
_cell_length_c [7.6458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCa3(TmTe3)2]
_chemical_formula_sum '[Li2 Ca6 Tm4 Te12]'
_cell_volume [724.1610]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  4  0.0000  0.1673  0.5000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  4  0.0000  0.3336  0.0000  1.0
  Te  Te4  8  0.2450  0.1661  0.2369  1.0
  Te  Te5  4  0.2469  0.5000  0.2376  1.0
]