data_[Ca4As4Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6379]
_cell_length_b [3.8329]
_cell_length_c [7.1582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2As2Rh3]
_chemical_formula_sum '[Ca4 As4 Rh6]'
_cell_volume [265.9700]
_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  4  0.1257  0.0000  0.7659  1.0
  As  As1  4  0.1508  0.0000  0.2261  1.0
  Rh  Rh2  4  0.1369  0.5000  0.4343  1.0
  Rh  Rh3  2  0.0000  0.5000  0.0000  1.0
]