data_Ba2CaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   7.53
_cell_angle_alpha   139.74
_cell_angle_beta   139.74
_cell_angle_gamma   58.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaTe
_chemical_formula_sum   'Ba2 Ca1 Te1'
_cell_volume   176.93
_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
  Ba  Ba0  1  0.0  0.0  0.58  1.0
  Ba  Ba1  1  0.0  0.59  0.29  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.59  0.0  0.29  1.0

data_Ba2CaTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   7.53
_cell_angle_alpha   110.13
_cell_angle_beta   110.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaTe
_chemical_formula_sum   'Ba2 Ca1 Te1'
_cell_volume   176.93
_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
  Ba  Ba0  1  0.58  0.58  0.58  1.0
  Ba  Ba1  1  0.7  0.29  0.7  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.29  0.7  0.7  1.0

Ba Ba Ca Te