data_[Ca2Tm1In1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3662]
_cell_length_b [8.7002]
_cell_length_c [6.6056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2TmInCl8]
_chemical_formula_sum '[Ca2 Tm1 In1 Cl8]'
_cell_volume [365.8551]
_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
[
  Ca  Ca0  2  0.5000  0.2522  0.5000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.2284  0.2101  0.1741  1.0
  Cl  Cl4  2  0.2672  0.0000  0.6853  1.0
  Cl  Cl5  2  0.2821  0.5000  0.6358  1.0
]