data_[Ca4P2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7315]
_cell_length_b [3.8813]
_cell_length_c [8.4366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2PRh]
_chemical_formula_sum '[Ca4 P2 Rh2]'
_cell_volume [180.9305]
_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  2  0.2148  0.2500  0.4292  1.0
  Ca  Ca1  2  0.2862  0.7500  0.0705  1.0
  P  P2  2  0.1524  0.2500  0.7818  1.0
  Rh  Rh3  2  0.3447  0.7500  0.7242  1.0
]