data_[Ca8Bi4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [6.8312]
_cell_length_b [6.9523]
_cell_length_c [9.9858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca4Bi2P]
_chemical_formula_sum '[Ca8 Bi4 P2]'
_cell_volume [444.4603]
_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  0.4722  0.5030  0.2491  1
  Ca  Ca1  2  0.0671  0.7500  0.8705  1
  Ca  Ca2  2  0.1088  0.7500  0.4254  1
  Bi  Bi3  2  0.2761  0.2500  0.4544  1
  Bi  Bi4  2  0.3001  0.2500  0.9439  1
  P  P5  2  0.1326  0.7500  0.1577  1
]