data_[Ca2Ho1In1Cl8]
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
  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 [6.3880]
_cell_length_b [8.7067]
_cell_length_c [6.6310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2HoInCl8]
_chemical_formula_sum '[Ca2 Ho1 In1 Cl8]'
_cell_volume [368.7920]
_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  0.2528  0.5000  1.0
  Ho  Ho1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.2304  0.2117  0.1746  1.0
  Cl  Cl4  2  0.2686  0.0000  0.6832  1.0
  Cl  Cl5  2  0.2822  0.5000  0.6362  1.0
]