data_[Ca2Ho6Tm4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5588]
_cell_length_b [4.4504]
_cell_length_c [9.0139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaHo3(TmBi3)2]
_chemical_formula_sum '[Ca2 Ho6 Tm4 Bi12]'
_cell_volume [763.5732]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho1  4  0.1645  0.0000  0.8342  1.0
  Ho  Ho2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  4  0.1663  0.0000  0.3320  1.0
  Bi  Bi4  4  0.0012  0.0000  0.2569  1.0
  Bi  Bi5  4  0.1678  0.5000  0.5823  1.0
  Bi  Bi6  4  0.1697  0.5000  0.0872  1.0
]