data_[Ca1Y2Er1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5803]
_cell_length_b [4.3578]
_cell_length_c [7.6221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaY2ErTe4]
_chemical_formula_sum '[Ca1 Y2 Er1 Te4]'
_cell_volume [237.7636]
_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
  Y  Y1  1  0.0000  0.5000  0.5000  1.0
  Y  Y2  1  0.5000  0.0000  0.5000  1.0
  Er  Er3  1  0.5000  0.5000  0.0000  1.0
  Te  Te4  2  0.2529  0.0000  0.7525  1.0
  Te  Te5  2  0.2529  0.5000  0.2502  1.0
]