data_[Ca4In2Bi2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4336]
_cell_length_b [4.5385]
_cell_length_c [8.5064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2InBiAs]
_chemical_formula_sum '[Ca4 In2 Bi2 As2]'
_cell_volume [292.2267]
_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  0.0616  0.7500  0.2007  1.0
  Ca  Ca1  2  0.4500  0.2500  0.1590  1.0
  In  In2  2  0.1160  0.7500  0.5954  1.0
  Bi  Bi3  2  0.3540  0.2500  0.5102  1.0
  As  As4  2  0.2226  0.7500  0.9470  1.0
]