data_[Ca2Tm2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5465]
_cell_length_b [4.2258]
_cell_length_c [9.9274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaTmCuTe3]
_chemical_formula_sum '[Ca2 Tm2 Cu2 Te6]'
_cell_volume [349.6748]
_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  0.1943  0.2500  0.2744  1.0
  Tm  Tm1  2  0.3233  0.7500  0.8313  1.0
  Cu  Cu2  2  0.0736  0.2500  0.5804  1.0
  Te  Te3  2  0.0791  0.2500  0.8512  1.0
  Te  Te4  2  0.2463  0.7500  0.5222  1.0
  Te  Te5  2  0.4167  0.7500  0.1529  1.0
]