data_[Ca2Ac1In1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0308]
_cell_length_b [4.6694]
_cell_length_c [8.0955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2AcInTe4]
_chemical_formula_sum '[Ca2 Ac1 In1 Te4]'
_cell_volume [287.4390]
_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  0.5000  0.0000  0.5000  1
  Ca  Ca1  1  0.5000  0.5000  0.0000  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  In  In3  1  0.0000  0.5000  0.5000  1
  Te  Te4  2  0.2619  0.5000  0.2509  1
  Te  Te5  2  0.2675  0.0000  0.7620  1
]