data_[Er12Bi2As6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8665]
_cell_length_b [4.0883]
_cell_length_c [8.2515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6BiAs3P2]
_chemical_formula_sum '[Er12 Bi2 As6 P4]'
_cell_volume [587.3952]
_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
[
  Er  Er0  4  0.0044  0.0000  0.2701  1.0
  Er  Er1  4  0.1700  0.5000  0.5801  1.0
  Er  Er2  4  0.1751  0.5000  0.0953  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1638  0.0000  0.8318  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1683  0.0000  0.3367  1.0
]