data_[Ca1Y2Ho1Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6671]
_cell_length_b [4.3854]
_cell_length_c [7.6755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaY2HoSb4]
_chemical_formula_sum '[Ca1 Y2 Ho1 Sb4]'
_cell_volume [243.8841]
_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  1  0.5000  0.5000  0.0000  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Y  Y2  1  0.0000  0.5000  0.5000  1
  Ho  Ho3  1  0.5000  0.0000  0.5000  1
  Sb  Sb4  2  0.2447  0.0000  0.7435  1
  Sb  Sb5  2  0.2489  0.5000  0.2536  1
]