data_[Ca6La2Bi4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3091]
_cell_length_b [5.5640]
_cell_length_c [16.6208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca3LaBi2P]
_chemical_formula_sum '[Ca6 La2 Bi4 P2]'
_cell_volume [490.9742]
_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  0.0000  0.0000  0.1733  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  La  La2  2  0.0000  0.5000  0.0000  1
  Bi  Bi3  4  0.0000  0.0000  0.3645  1
  P  P4  2  0.0000  0.0000  0.0000  1
]