data_[Mg1Cu3Te2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2292]
_cell_length_b [5.6861]
_cell_length_c [7.8742]
_cell_angle_alpha [105.9641]
_cell_angle_beta [100.0130]
_cell_angle_gamma [106.9288]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgCu3(TeO5)2]
_chemical_formula_sum '[Mg1 Cu3 Te2 O10]'
_cell_volume [206.9770]
_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
[
  Mg  Mg0  1  0.5501  0.8138  0.4202  1.0
  Cu  Cu1  1  0.0109  0.5035  0.9968  1.0
  Cu  Cu2  1  0.3069  0.1094  0.0913  1.0
  Cu  Cu3  1  0.7001  0.8592  0.8875  1.0
  Te  Te4  1  0.1049  0.6875  0.6955  1.0
  Te  Te5  1  0.8955  0.3053  0.2913  1.0
  O  O6  1  0.0622  0.0127  0.8327  1.0
  O  O7  1  0.1071  0.3428  0.5305  1.0
  O  O8  1  0.2136  0.5204  0.2337  1.0
  O  O9  1  0.3366  0.6813  0.9191  1.0
  O  O10  1  0.4561  0.8600  0.6598  1.0
  O  O11  1  0.5492  0.1010  0.3158  1.0
  O  O12  1  0.6770  0.3275  0.0749  1.0
  O  O13  1  0.8040  0.4965  0.7729  1.0
  O  O14  1  0.8648  0.6574  0.4566  1.0
  O  O15  1  0.9486  0.9896  0.1547  1.0
]