data_[Sr10Ca4Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3919]
_cell_length_b [4.5555]
_cell_length_c [13.7250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr5Ca2Bi5]
_chemical_formula_sum '[Sr10 Ca4 Bi10]'
_cell_volume [980.5640]
_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
[
  Sr  Sr0  4  0.1590  0.5000  0.0499  1.0
  Sr  Sr1  4  0.2481  0.5000  0.3590  1.0
  Sr  Sr2  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca3  4  0.0465  0.0000  0.7901  1.0
  Bi  Bi4  4  0.1107  0.0000  0.4086  1.0
  Bi  Bi5  4  0.1899  0.5000  0.8035  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]