data_[Ca2Sb3As1Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4274]
_cell_length_b [4.4274]
_cell_length_c [10.6600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2Sb3AsRh4]
_chemical_formula_sum '[Ca2 Sb3 As1 Rh4]'
_cell_volume [208.9577]
_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  0.0000  0.5000  0.7427  1.0
  Sb  Sb1  2  0.0000  0.5000  0.1347  1.0
  Sb  Sb2  1  0.0000  0.0000  0.5000  1.0
  As  As3  1  0.5000  0.5000  0.5000  1.0
  Rh  Rh4  2  0.0000  0.5000  0.3756  1.0
  Rh  Rh5  1  0.0000  0.0000  0.0000  1.0
  Rh  Rh6  1  0.5000  0.5000  0.0000  1.0
]