data_[Er10Bi2P12]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9425]
_cell_length_b [12.0300]
_cell_length_c [6.9386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5BiP6]
_chemical_formula_sum '[Er10 Bi2 P12]'
_cell_volume [546.2978]
_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  0.0000  0.1650  0.5000  1
  Er  Er1  4  0.0000  0.3325  0.0000  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2449  0.3297  0.7462  1
  P  P5  4  0.2442  0.5000  0.2552  1
]