data_[Ca1Dy2Er1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8346]
_cell_length_b [4.4469]
_cell_length_c [7.8474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaDy2ErBi4]
_chemical_formula_sum '[Ca1 Dy2 Er1 Bi4]'
_cell_volume [258.6103]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Dy  Dy1  1  0.5000  0.0000  0.5000  1.0
  Dy  Dy2  1  0.5000  0.5000  0.0000  1.0
  Er  Er3  1  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  2  0.2511  0.0000  0.7461  1.0
  Bi  Bi5  2  0.2555  0.5000  0.2570  1.0
]