data_[Ca4Ga2Bi2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2951]
_cell_length_b [4.3411]
_cell_length_c [9.3961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2GaBiP]
_chemical_formula_sum '[Ca4 Ga2 Bi2 P2]'
_cell_volume [284.1269]
_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  0.2120  0.2500  0.9775  1.0
  Ca  Ca1  2  0.2321  0.2500  0.3838  1.0
  Ga  Ga2  2  0.4936  0.2500  0.7954  1.0
  Bi  Bi3  2  0.2580  0.7500  0.6718  1.0
  P  P4  2  0.1796  0.7500  0.1797  1.0
]