data_[Ho4Cr4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [11.9506]
_cell_length_b [5.6433]
_cell_length_c [5.5859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [HoCrAs3]
_chemical_formula_sum '[Ho4 Cr4 As12]'
_cell_volume [376.7156]
_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
[
  Ho  Ho0  4  0.3126  0.0050  0.2500  1
  Cr  Cr1  4  0.0902  0.7500  0.0000  1
  As  As2  4  0.0688  0.1078  0.2500  1
  As  As3  4  0.2189  0.5008  0.2500  1
  As  As4  4  0.4981  0.7500  0.0000  1
]